# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-10T07:51:02+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Polyhedron') AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1100134","16.514","0.0016","11.1559","0.0011","11.2834","0.0011","90","","115.974","0.002","90","","1868.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-(μu-4,4'-Bipyridyl)-bis(2-methyllactate-O,O')-copper(II)","","- C18 H22 Cu N2 O6 -","- C18 H22 Cu N2 O6 -","- C72 H88 Cu4 N8 O24 -","4","0.5","","Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso","Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)'","Polyhedron","2001","20","9-10","899","904","10.1016/S0277-5387(01)00749-5","","","0.71073","MoKα","","0.0757","0.0497","","","0.1114","0.1203","","","","","","0.967","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100135","14.443","0.002","11.2031","0.0016","5.3902","0.0008","90","","104.854","0.002","90","","843","0.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","catena-(μu-4,4'-Bipyridyl)-bis(lactate-O,O')-copper(II)","","- C16 H18 Cu N2 O6 -","- C16 H18 Cu N2 O6 -","- C32 H36 Cu2 N4 O12 -","2","0.25","","Carballo, Rosa; Vázquez-López, Ezequiel M.; Covelo, Berta; Castiñeiras, Alfonso","Coordination polymers of Copper(II) based on mixed N- and O-donor ligands: The crystal structures of [CuL~2~(4,4'-bipy)]~n~ (L = lactate or 2-methyllactate)'","Polyhedron","2001","20","9-10","899","904","10.1016/S0277-5387(01)00749-5","","","0.71073","MoKα","","0.0366","0.0345","","","0.0877","0.0885","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100156","9.17","0.003","10.936","0.003","12.717","0.004","106.91","0.007","110.208","0.006","90.172","0.007","1137.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 N4 Ni O6 -","- C22 H22 N4 Ni O6 -","- C44 H44 N8 Ni2 O12 -","2","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1784","0.0541","","","0.0629","0.0816","","","","","","0.644","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100157","9.2191","0.0011","29.972","0.004","12.5644","0.0015","90","","94.428","0.003","90","","3461.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 N6 Ni O6 -","- C37 H34 N6 Ni O6 -","- C148 H136 N24 Ni4 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.2271","0.1056","","","0.1633","0.2022","","","","","","1.072","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100158","5.528","0.002","7.267","0.003","13.626","0.005","75.045","0.005","85.826","0.006","75.613","0.007","512.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H10 Cu N2 O6 -","- C7 H10 Cu N2 O6 -","- C14 H20 Cu2 N4 O12 -","2","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0965","0.0675","","","0.1157","0.1259","","","","","","1.092","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100159","5.422","0.003","13.436","0.007","17","0.009","90","","92.324","0.011","90","","1237.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu N2 O6 -","- C9 H14 Cu N2 O6 -","- C36 H56 Cu4 N8 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.2235","0.0495","","","0.0686","0.0926","","","","","","0.753","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100160","9.6623","0.0015","17.63","0.003","9.7978","0.0016","90","","118.748","0.003","90","","1463.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 Cu N2 O6 -","- C11 H18 Cu N2 O6 -","- C44 H72 Cu4 N8 O24 -","4","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1503","0.0448","","","0.0511","0.0634","","","","","","0.694","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100161","20.4557","0.0018","10.4408","0.0009","15.0918","0.0013","90","","90","","90","","3223.2","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H19 N4 O6.5 Zn -","- C12 H18 N4 O6.5 Zn -","- C96 H144 N32 O52 Zn8 -","8","1","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1021","0.0401","","","0.0869","0.0986","","","","","","0.924","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1100162","10.7634","0.0009","10.7634","0.0009","16.442","0.003","90","","90","","90","","1904.8","0.4","293","2","293","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C14 H22 N4 O6 Zn -","- C14 H22 N4 O6 Zn -","- C56 H88 N16 O24 Zn4 -","4","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0369","0.0326","","","0.0809","0.0828","","","","","","1.157","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100163","12.9507","0.0017","9.0191","0.0011","22.209","0.003","90","","119.763","0.006","90","","2251.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H46 N12 O6 Zn -","- C46 H46 N12 O6 Zn -","- C92 H92 N24 O12 Zn2 -","2","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.1162","0.0621","","","0.1005","0.1152","","","","","","1.048","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100164","19.392","0.007","8.477","0.003","11.412","0.004","90","","111.795","0.007","90","","1741.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 Ni O6 -","- C14 H22 N4 Ni O6 -","- C56 H88 N16 Ni4 O24 -","4","0.5","","Carballo, Rosa; Vazquez-Lopez, Ezequiel M.; Covelo, Berta; Garcia-Martinez, Emilia; Castineiras, Alfonso; Niclos, Juan","'Solid state coordination chemistry of mononuclear mixed-ligand complexes of Ni(II), Cu(II) and Zn(II) with α-hydroxycarboxylic acids and imidazole'","Polyhedron","2004","23","","1505","1518","10.1016/j.poly.2004.02.028","","","0.71073","MoKα","","0.0409","0.0317","","","0.0663","0.0691","","","","","","1.059","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100165","7.543","0.0008","13.1384","0.0012","17.2599","0.001","90","","90","","90","","1710.5","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Diaqua bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one-N3)zinc(II) tetrah","","- C10 H18 N8 O8 Zn -","- C10 H18 N8 O8 Zn -","- C40 H72 N32 O32 Zn4 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","743","747","10.1016/j.poly.2003.11.052","","","0.71073","MoKα","","0.1402","0.0872","","","0.2186","0.276","","","","","","1.025","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100168","6.5185","0.0009","7.5119","0.0011","10.7736","0.0009","94.351","0.01","106.036","0.008","109.334","0.014","470.21","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Br2 N8 O4 Pd -","- C14 H12 Br2 N8 O4 Pd -","- C14 H12 Br2 N8 O4 Pd -","1","0.5","","Esther R. Acuna-Cueva; Rene Faure; Nuria A. Illan-Cabeza; Sonia B. Jimenez-Pulido; Miguel N. Moreno-Carretero; Miguel Quiros","","Polyhedron","2003","22","","483","488","10.1016/S0277-5387(02)01374-8","","","0.71073","MoKα","","0.0953","0.072","","","0.1998","0.2209","","","","","","1.074","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100169","12.864","0.002","14.634","0.002","30.703","0.003","90","","90","","90","","5779.7","1.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","Tetrakis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3,N4) dipalladium(II) tetrahydrate","","- C20 H20 N16 O8 Pd2 -","- C20 H12 N16 O8 Pd2 -","- C160 H96 N128 O64 Pd16 -","8","1","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.0857","0.0765","","","0.1864","0.1972","","","","","","1.256","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100170","19.688","0.012","14.219","0.012","14.448","0.006","90","","110.02","0.04","90","","3800","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3-N4) bis(phenanthroline)dipalladium(II) nitrate tetrahydrate","","- C34 H30 N14 O12 Pd2 -","- C34 H22 N14 O12 Pd2 -","- C136 H88 N56 O48 Pd8 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.1484","0.0793","","","0.192","0.2325","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100171","10.2842","0.0015","18.92","0.003","18.45","0.003","90","","104.117","0.01","90","","3481.5","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis(4,5-dihydro-1,2,4-triazolo[1,5-a]pyrimidinate-5-one-mu-N3,N4) bis(trans-diaminociclohexane) dipalladium(II) nitrate tetrahydrate","","- C22 H40 N14 O11 Pd2 -","- C22 H34 N14 O11 Pd2 -","- C88 H136 N56 O44 Pd8 -","4","1","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","","Polyhedron","2004","23","","2373","2379","10.1016/j.poly.2004.07.024","","","0.71073","MoKα","","0.0604","0.0487","","","0.1171","0.1238","","","","","","1.136","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1101078","8.4812","0.0013","10.5077","0.0012","11.8177","0.0013","80.425","0.009","71.135","0.01","86.857","0.011","982.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H52 Br1.33 N10.67 O18 -","- C24 H52 Br1.34 N10.66 O17.98 -","- C24 H52 Br1.34 N10.66 O17.98 -","1","0.5","","Manuel G. Basallote; Joaquín Durán; María J. Fernández-Trujillo; M. Ángeles Máñez; Miguel Quirós; Juan M. Salas","","Polyhedron","2001","20","","297","305","10.1016/S0277-5387(00)00630-6","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","201202","2020-10-21","18:00:00",""
"1101095","6.9193","0.0007","11.8361","0.0008","15.259","0.002","90","","97.482","0.01","90","","1239","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cu N7 O5 -","- C8 H11 Cu N7 O5 -","- C32 H44 Cu4 N28 O20 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0347","","","0.0971","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101096","5.291","0.0005","12.0171","0.0009","21.792","0.002","90","","93.981","0.009","90","","1382.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 Cu N6 O6 -","- C9 H14 Cu N6 O6 -","- C36 H56 Cu4 N24 O24 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0808","","","0.1241","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101097","7.783","0.001","8.0754","0.0009","10.252","0.002","99.326","0.012","103.785","0.013","118.47","0.009","520.67","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Cl2 Cu N8 O6 -","- C16 H20 Cl2 Cu N8 O6 -","- C16 H20 Cl2 Cu N8 O6 -","1","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on new M^II^X~2~L~2~ dihalocomplexes of 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of the monodimensionally hydrogen-bonded dichloro-bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) dihydrate","Polyhedron","1999","18","","85","91","10.1016/S0277-5387(98)00270-8","","","","","","","0.0692","","","0.1578","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101106","7.3518","0.0008","21.308","0.002","11.0976","0.0012","90","","99.245","0.008","90","","1715.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N6 O6 Zn -","- C14 H16 N6 O6 Zn -","- C56 H64 N24 O24 Zn4 -","4","1","","Francisco Hueso-Ureña; Antonio L. Peñas-Chamorro; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis, spectral and XRD studies on three O-nitrito-complexes with new N,N,O-tridentate Schiff bases derived from 6-amino-5-formyl-1,3-dimethyluracil and semicarbazide, acetylhydrazine and benzoylhydrazine","Polyhedron","1999","18","","351","360","10.1016/S0277-5387(98)00303-9","","","","","","","0.0621","","","0.1572","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101108","23.522","0.003","13.6089","0.001","22.327","0.002","90","","112.478","0.006","90","","6604","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H54 Cl2 Cu2 N12 O14 -","- C70 H54 Cl2 Cu2 N12 O14 -","- C280 H216 Cl8 Cu8 N48 O56 -","4","0.5","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.0496","","","0.1402","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101109","25.197","0.002","14.495","0.002","29.659","0.003","90","","115.55","0.01","90","","9773.1","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H39 Cu2 F12 N8 O4.5 P2 -","- C44 H39 Cu2 F12 N8 O4.5 P2 -","- C352 H312 Cu16 F96 N64 O36 P16 -","8","2","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.1003","","","0.218","","","","","","","","","","","has coordinates,has disorder","301773","2025-08-18","12:42:42",""
"1101110","54.836","0.008","15.923","0.001","12.299","0.001","90","","94.382","0.009","90","","10707.5","1.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H24 Cu F12 N6 P2 -","- C36 H24 Cu F12 N6 P2 -","- C432 H288 Cu12 F144 N72 P24 -","12","1.5","","José M. Seco; Miguel Quirós; María J. González Garmendia","Synthesis, X-ray crystal structure and spectroscopic, magnetic and EPR studies of copper(II) dimers with methoxy-di-(2-pyridyl)methoxide as bridging ligand","Polyhedron","2000","19","","1005","1013","10.1016/S0277-5387(00)00356-9","","","","","","","0.0883","","","0.2557","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101123","14.045","0.001","11.749","0.0007","19.701","0.002","90","","90","","90","","3251","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Cl2 Cu N4 O4 -","- C10 H16 Cl2 Cu N4 O4 -","- C80 H128 Cl16 Cu8 N32 O32 -","8","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0415","","","0.0967","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101127","8.0064","0.0006","9.3736","0.0006","10.6279","0.0005","71.414","0.007","81.536","0.006","70.904","0.008","713.59","0.08","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H12 Cl2 Hg N4 O2 -","- C10 H12 Cl2 Hg N4 O2 -","- C20 H24 Cl4 Hg2 N8 O4 -","2","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0436","","","0.1182","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101128","13.315","0.002","8.539","0.002","13.932","0.002","90","","108.728","0.009","90","","1500.2","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Cl Hg N5 O5 -","- C10 H12 Cl Hg N5 O5 -","- C40 H48 Cl4 Hg4 N20 O20 -","4","1","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Synthesis and structural studies on 1:1 metal complexes with 1,3-dimethyllumazine and 1,3,6,7-tetramethyllumazine. Crystal structure of two dichloro copper(II) and mercury(II) compounds and a polymeric chloro-nitrato bridged-mercury(II) complex.","Polyhedron","1998","17","","3409","3418","10.1016/S0277-5387(98)00122-3","","","","","","","0.0583","","","0.1418","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1101133","8.148","0.003","9.104","0.002","11.854","0.003","105.37","0.01","95.31","0.02","115.17","0.01","745.8","0.4","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","- C18 H38 N8 Ni O18 -","1","0.5","","Juan M. Salas; Miguel Quirós; M. Angustias Romero; M. Purificación Sánchez; Miguel A. Salas; Rosario Vilaplana","Metal complexes of theophylline-7-acetic acid. Crystal structure of a nickel(II) compound containing non-coordinated theophylline-7-acetate ion","Polyhedron","1995","14","","611","616","10.1016/0277-5387(94)00279-N","","","","","","","0.045","","","0.042","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101134","11.076","0.001","11.045","0.002","24.728","0.002","91.19","0.01","94.5","0.01","108.67","0.01","2853.7","0.6","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C15 H31.75 Cl0.88 K0.88 N3 O8.38 Pd3 S3 -","- C15 H27 Cl0.875 K0.875 N3 O8.375 Pd3 S3 -","- C60 H108 Cl3.5 K3.5 N12 O33.5 Pd12 S12 -","4","4","","G. Cervantes; V. Moreno; E. Molins; Miguel Quirós","Pd(II) and Pt(II) D-penicillamine complexes. Crystal structure of a tridentate D-penicillamine cluster of Pd(II)","Polyhedron","1998","17","","3343","3350","10.1016/S0277-5387(98)00114-4","","","","","","","0.0585","","","0.1454","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1101138","8.746","0.0008","13.874","0.001","10.678","0.001","90","","92.64","0.01","90","","1294.4","0.7","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cu N10 O14 -","- C16 H24 Cu N10 O14 -","- C32 H48 Cu2 N20 O28 -","2","0.5","","Francisco Hueso-Ureña; Sonia B. Jiménez-Pulido; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","A new three-dimensional, hydrogen-bonded metal-pteridine complex: synthesis, characterization and crystal structure of diaqua bis(1,3-dimethylpteridine-2,4(1H,3H)-dione-O^4^,N^5^) copper(II) nitrate dihydrate","Polyhedron","1997","16","","607","612","10.1016/0277-5387(96)00318-X","","","","","","","0.047","","","0.088","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1500013","9.5677","0.0005","12.4114","0.0006","13.3517","0.0006","75.465","0.001","71.674","0.001","78.059","0.001","1442.71","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cl2 Cu N10 O10 -","- C22 H20 Cl2 Cu N10 O10 -","- C44 H40 Cl4 Cu2 N20 O20 -","2","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0321","0.0306","","","0.0817","0.0826","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500014","12.1033","0.0005","18.1364","0.0007","14.2061","0.0005","90","","102.712","0.001","90","","3041.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Cu N10 O9 -","- C26 H26 Cl2 Cu N10 O9 -","- C104 H104 Cl8 Cu4 N40 O36 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0306","0.0284","","","0.0767","0.0781","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500015","14.8687","0.0009","7.347","0.0005","18.2668","0.0011","90","","95.563","0.001","90","","1986.1","0.2","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H14 Cu N8 O7 -","- C17 H14 Cu N8 O7 -","- C68 H56 Cu4 N32 O28 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0507","0.0451","","","0.1332","0.1388","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500016","13.3507","0.0008","14.2757","0.0009","13.053","0.0008","90","","114.735","0.001","90","","2259.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 Cu N10 O10 -","- C12 H20 Cl2 Cu N10 O10 -","- C48 H80 Cl8 Cu4 N40 O40 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0619","0.0526","","","0.1446","0.1518","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500017","14.2694","0.0006","8.768","0.0004","23.9159","0.001","90","","117.222","0.001","90","","2660.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 Cu N10 O10 -","- C16 H28 Cl2 Cu N10 O10 -","- C64 H112 Cl8 Cu4 N40 O40 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0511","0.0484","","","0.138","0.1403","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500018","13.2076","0.0007","22.2625","0.001","14.1257","0.0007","90","","102.797","0.001","90","","4050.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl3 Cu2 N20 O17 -","- C25 H29 Cl3 Cu2 N20 O17 -","- C100 H116 Cl12 Cu8 N80 O68 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0693","0.0604","","","0.1558","0.1626","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500019","9.4668","0.0007","8.8177","0.0006","25.9413","0.0018","90","","90","","90","","2165.5","0.3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N O2 -","- C13 H11 N O2 -","- C104 H88 N8 O16 -","8","1","","Maria Lalia Kantouri; Christos D. Papadopoulos; Antonios G. Hatzdimitriou; Miguel Quirós","Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br","Polyhedron","2007","26","","1292","1302","10.1016/j.poly.2006.10.047","","","0.71073","MoKα","","0.0584","0.0467","","","0.1264","0.1347","","","","","","1.033","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500022","17.7483","0.001","36.829","0.002","17.3196","0.001","90","","90","","90","","11320.9","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C28.81 H26.43 Br Co N5.33 O3.9 -","- C28.815 H26.432 Br Co N5.333 O3.9 -","- C461.04 H422.912 Br16 Co16 N85.328 O62.4 -","16","2","","Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós","Synthesis and characterization of new Co(III) mixed-ligand complexes, containing 2-hydroxy-aryloximes and α-diimines. Crystal and molecular strucutre of [Co(saox)(bipy)~2~]Br","Polyhedron","2007","26","","1292","1302","10.1016/j.poly.2006.10.047","","","0.71073","MoKα","","0.0406","0.0306","","0.087","0.0728","0.0728","","","","","","1.0498","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1500028","8.4355","0.0006","40.985","0.003","7.1685","0.0005","90","","113.298","0.001","90","","2276.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 Cu N13 O4 -","- C18 H29 Cu N13 O4 -","- C72 H116 Cu4 N52 O16 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.053","0.0476","","","0.11","0.1121","","","","","","1.255","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500029","7.5499","0.0006","8.1885","0.0006","10.9247","0.0009","108.819","0.001","96.302","0.001","97.634","0.001","625.18","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Cu N14 O6 -","- C16 H32 Cu N14 O6 -","- C16 H32 Cu N14 O6 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.0311","0.0303","","","0.0782","0.0787","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500031","8.4735","0.0006","9.1517","0.0007","10.25","0.0008","89.138","0.001","88.455","0.001","64.069","0.001","714.57","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Mn N12 O8 -","- C22 H30 Mn N12 O8 -","- C22 H30 Mn N12 O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0379","0.0354","","","0.0985","0.1007","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500032","8.4326","0.0005","9.0674","0.0005","10.2434","0.0006","89.034","0.001","88.769","0.001","63.924","0.001","703.32","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Co N12 O8 -","- C22 H30 Co N12 O8 -","- C22 H30 Co N12 O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.033","0.0316","","","0.0885","0.0895","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500033","8.4471","0.0004","8.6061","0.0004","11.4137","0.0006","83.422","0.001","69.44","0.001","61.375","0.001","680.47","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N12 Ni O8 -","- C22 H30 N12 Ni O8 -","- C22 H30 N12 Ni O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0287","0.0284","","","0.0772","0.0773","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500034","8.6913","0.0005","11.2673","0.0007","14.9465","0.0009","110.327","0.001","92.4","0.001","98.579","0.001","1350.22","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cu N12 O8 -","- C22 H30 Cu N12 O8 -","- C44 H60 Cu2 N24 O16 -","2","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0302","0.029","","","0.0811","0.082","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500035","8.409","0.0009","8.9126","0.0009","9.9452","0.001","86.016","0.002","86.98","0.002","66.681","0.001","682.56","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 N12 O8 Zn -","- C22 H30 N12 O8 Zn -","- C22 H30 N12 O8 Zn -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.0245","0.024","","","0.0634","0.0637","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500036","8.5015","0.0004","9.1721","0.0005","10.1821","0.0005","87.25","0.001","87.41","0.001","65.661","0.001","722.29","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H30 Cd N12 O8 -","- C22 H30 Cd N12 O8 -","- C22 H30 Cd N12 O8 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2009","28","","911","916","10.1016/j.poly.2009.01.037","","","0.71073","MoKα","","0.023","0.0229","","","0.0605","0.0606","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500038","8.1905","0.0019","8.2396","0.0013","10.8651","0.0017","95.215","0.002","95.77","0.003","117.933","0.002","636.5","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H34 N14 Ni O7 -","- C16 H34 N14 Ni O7 -","- C16 H34 N14 Ni O7 -","1","0.5","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","","Polyhedron","2010","29","","372","378","10.1016/j.poly.2009.06.002","","","0.71073","MoKα","","0.0424","0.0413","","","0.1139","0.1147","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501553","8.0656","0.0002","21.8175","0.0004","10.5558","0.0002","90","","93.691","0.001","90","","1853.66","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Ag Cl O4 S4 -","- C10 H24 Ag Cl O4 S4 -","- C40 H96 Ag4 Cl4 O16 S16 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0292","0.0277","","","0.0784","0.0796","","","","","","1.098","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501554","8.0371","0.0002","21.6514","0.0006","10.4766","0.0003","90","","92.324","0.002","90","","1821.58","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Ag B F4 S4 -","- C10 H24 Ag B F4 S4 -","- C40 H96 Ag4 B4 F16 S16 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.055","0.0401","","","0.0887","0.093","","","","","","0.905","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501555","8.0541","0.0002","9.6501","0.0002","21.099","0.0005","90","","90","","90","","1639.87","0.07","150","2","150","2","","","","","","","Synthesized by the authors. See text","6","P 21 21 21","P 2ac 2ab","19","","","","- C9 H18 Ag F3 O4 S3 -","- C9 H18 Ag F3 O4 S3 -","- C36 H72 Ag4 F12 O16 S12 -","4","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.045","0.0395","","","0.1165","0.1193","","","","","","1.063","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501556","18.1075","0.0004","7.9194","0.0002","18.0488","0.0004","90","","100.504","0.001","90","","2544.83","0.1","200","2","200","2","","","","","","","Synthesized by the authors. See text","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H12 Ag F6 S2 Sb -","- C5 H12 Ag F6 S2 Sb -","- C40 H96 Ag8 F48 S16 Sb8 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0532","0.0467","","","0.1333","0.1369","","","","","","1.115","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501557","25.716","0.0009","7.8986","0.0003","9.9444","0.0004","90","","94.775","0.002","90","","2012.9","0.13","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Ag2 O4 S2 -","- C19 H22 Ag2 O4 S2 -","- C76 H88 Ag8 O16 S8 -","4","0.5","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0538","0.0513","","","0.127","0.1326","","","","","","1.078","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501558","7.6138","0.0009","16.0573","0.0019","19.894","0.002","90","","90","","90","","2432.2","0.5","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P b c a","-P 2ac 2ab","61","","","","- C7 H12 Ag F3 O2 S2 -","- C7 H12 Ag F2.925 O2 S2 -","- C56 H96 Ag8 F23.4 O16 S16 -","8","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.1477","0.0722","","","0.1666","0.2064","","","","","","0.923","","","","has coordinates,has disorder","256942","2020-10-21","18:00:00",""
"1501559","7.8429","0.0002","8.186","0.0002","12.5548","0.0003","78.115","0.001","74.271","0.001","77.759","0.001","748.72","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C9 H12 Ag F7 O2 S2 -","- C9 H12 Ag F7 O2 S2 -","- C18 H24 Ag2 F14 O4 S4 -","2","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0657","0.0647","","","0.1719","0.1749","","","","","","1.056","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1501560","7.6593","0.0004","8.315","0.0004","10","0.0004","112.09","0.002","107.066","0.002","94.179","0.002","551.93","0.05","220","2","220","2","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C7 H12 Ag F2 O2 S2 -","- C7 H12 Ag F2 O2 S2 -","- C14 H24 Ag2 F4 O4 S4 -","2","1","","Mohamed Osman Awaleh; Francois Brisse; Youssouf Djibril Soubaneh; Thierry Maris","Influence of the counteranion on silver(I)-dithioether coordination polymers","Polyhedron","2010","29","","2966","2975","10.1016/j.poly.2010.08.013","","","1.54178","CuKα","","0.0482","0.0455","","","0.1141","0.1182","","","","","","1.045","","","","has coordinates","256942","2020-10-21","18:00:00",""
"1507765","8.528","0.0007","7.3938","0.0006","13.2368","0.0011","90","","128.777","0.002","90","","650.67","0.09","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C6 H20 Al2 F10 N4 -","- C6 H20 Al2 F10 N4 -","- C12 H40 Al4 F20 N8 -","2","0.5","","Adil, K; Le Bail, A; Dujardin, G; Maisonneuve, V","A new 1D hybrid fluoroaluminate templated by an original tetramine","Polyhedron","2007","26","","2493","2497","10.1016/j.poly.2006.12.041","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507766","11.651","0.003","8.159","0.002","6.8473","0.0014","90","","101.53","0.03","90","","637.8","0.3","293","2","293","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C6 H20 Cl4 N4 -","- C6 H20 Cl4 N4 -","- C12 H40 Cl8 N8 -","2","0.25","","Adil, K; Le Bail, A; Dujardin, G; Maisonneuve, V","A new 1D hybrid fluoroaluminate templated by an original tetramine","Polyhedron","2007","26","","2493","2497","10.1016/j.poly.2006.12.041","","","0.71069","MoKα","","0.0587","0.0475","","","0.1304","0.1398","","","","","","1.1","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507783","13.395","0.003","13.474","0.006","15.877","0.003","76.99","0.03","77.8","0.02","61.03","0.02","2425","1.4","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Mo2 O12 P2 Si -","- C50 H46 Mo2 O12 P2 Si -","- C100 H92 Mo4 O24 P4 Si2 -","2","1","","Salles, L; Piquemal, J Y; Mahha, Y; Gentil,M; Herson, P; Bregeault, M","Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues","Polyhedron","2007","26","17","4786","4792","10.1016/j.poly.2007.06.007","","","0.71073","MoKα","","0.0914","0.0453","","0.0557","0.0532","0.0532","","","","","","1.1236","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507784","10.646","0.003","11.086","0.002","24.237","0.007","100.81","0.02","96.56","0.02","101.36","0.02","2720.5","1.3","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H58 Mo2 O12 P2 Si -","- C56 H58 Mo2 O12 P2 Si -","- C112 H116 Mo4 O24 P4 Si2 -","2","1","","Salles, L; Piquemal, J Y; Mahha, Y; Gentil, M; Herson, P; Bregeault, M","Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues","Polyhedron","2007","26","17","4786","4792","10.1016/j.poly.2007.06.007","","","0.71073","MoKα","","0.0517","0.0331","","0.0421","0.0399","0.0399","","","","","","1.1389","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1507785","13.467","0.003","13.548","0.003","15.931","0.003","76.03","0.02","79.39","0.02","61.18","0.02","2463.4","1","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H45 Cl Mo2 O12 P2 Si -","- C50 H45 Cl Mo2 O12 P2 Si -","- C100 H90 Cl2 Mo4 O24 P4 Si2 -","2","1","","Salles, L; Piquemal, J Y; Mahha, Y; Gentil, M; Herson, P; Bregeault, M","Crystal structures of three novel dioxotetraperoxodi(molybdenum) heteropolyanions in [PPh4]2[R2SiO2{Mo2O2(mu-O2)2(O2)2}] (R2 = (CH3)2, (i-C4H9)2 or (CH3)(CH2Cl)) and characterization of their tungsten analogues","Polyhedron","2007","26","17","4786","4792","10.1016/j.poly.2007.06.007","","","0.71069","MoKα","","0.0637","0.0533","","0.0589","0.0583","0.0583","","","","","","1.0605","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1509250","12.2871","0.0008","13.2034","0.0008","14.452","0.0009","90","","101.121","0.001","90","","2300.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Cl4 Cu2 N20 O16 -","- C34 H26 Cl4 Cu2 N20 O16 -","- C68 H52 Cl8 Cu4 N40 O32 -","2","0.5","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0539","0.0462","","","0.1331","0.1395","","","","","","1.058","","","","has coordinates,has Fobs","301775","2025-08-18","14:03:06",""
"1509251","11.287","0.005","11.326","0.005","13.021","0.005","72.606","0.005","81.428","0.005","62.597","0.005","1410.1","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cd Cl2 N12 O9 -","- C21 H18 Cd Cl2 N12 O9 -","- C42 H36 Cd2 Cl4 N24 O18 -","2","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71069","MoKα","","0.0369","0.0353","","","0.1011","0.1028","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509252","12.2331","0.0007","18.6877","0.0011","14.1421","0.0008","90","","99.015","0.001","90","","3193.1","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl2 Cu N12 O11 -","- C22 H28 Cl2 Cu N12 O11 -","- C88 H112 Cl8 Cu4 N48 O44 -","4","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0499","0.0384","","","0.109","0.1153","","","","","","1.029","","","","has coordinates,has Fobs","301775","2025-08-18","14:03:06",""
"1509253","15.3067","0.0011","17.7804","0.0012","22.6353","0.0016","90","","90","","90","","6160.4","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C44 H48 Cd2 Cl4 N24 O18 -","- C44 H48 Cd2 Cl4 N24 O18 -","- C176 H192 Cd8 Cl16 N96 O72 -","4","1","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71073","MoKα","","0.0468","0.0431","","","0.114","0.1171","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509254","10.749","0.005","12.668","0.005","13.623","0.005","68.88","0.005","69.73","0.005","66.269","0.005","1539.4","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Cl4 N34 O20 Zn2 -","- C38 H44 Cl4 N34 O20 Zn2 -","- C38 H44 Cl4 N34 O20 Zn2 -","1","0.5","","Ana B. Caballero; Clotilde Marín; Inmaculada Ramírez-Macías; Antonio Rodríquez-Diéguez; Miguel Quirós; Juan M. Salas; Manuel Sanchéz-Moreno","New Metal Complexes with 1,2,4-Triazolo[1,5-a]Pyrimidines and the Chelating Ligand 1,3-Propanediamine","Polyhedron","2012","33","","137","144","10.1016/j.poly.2011.11.020","","","0.71069","MoKα","","0.0543","0.0499","","","0.1555","0.161","","","","","","1.091","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509255","9.5296","0.0015","22.753","0.004","20.084","0.003","90","","111.229","0.004","90","","4059.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H36 Co N2 O6 -","- C49 H36 Co N2 O6 -","- C196 H144 Co4 N8 O24 -","4","1","","Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós; Michael P. Sigalas; Maria Lalia-Kantouri","Synthesis, Characterization, Thermal and Theoretical Studies of Cobalt(II) Addition Compounds with 2-Hydroxy-phenones and α-Diimines. Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)2(bipy)] -2-hydoxy-benzophenoneH (3) and [Co(2-hydroxy-benzophenone)2(phen)] (8)","Polyhedron","2011","30","","486","496","10.1016/j.poly.2010.11.010","","","0.71073","MoKα","","0.0993","0.0632","","","0.1297","0.1434","","","","","","1.061","","","","has coordinates,has Fobs","301775","2025-08-18","14:03:06",""
"1509256","11.602","0.001","17.185","0.002","16.951","0.002","90","","92.18","0.01","90","","3377.3","0.6","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H26 Co N2 O4 -","- C38 H26 Co N2 O4 -","- C152 H104 Co4 N8 O16 -","4","1","","Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Miguel Quirós; Michael P. Sigalas; Maria Lalia-Kantouri","Synthesis, Characterization, Thermal and Theoretical Studies of Cobalt(II) Addition Compounds with 2-Hydroxy-phenones and α-Diimines. Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)2(bipy)] -2-hydoxy-benzophenoneH (3) and [Co(2-hydroxy-benzophenone)2(phen)] (8)","Polyhedron","2011","30","","486","496","10.1016/j.poly.2010.11.010","","","0.71073","MoKα","","0.0595","0.0549","","0.0758","0.0586","0.0602","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509260","14.007","0.008","14.007","0.008","18.333","0.008","90","","90","","120","","3115","3","","","","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","Oxonium fac-tris(N,N'-dimethyl-violurato-N,O)-ruthenium(ii) hexahydrate","","- C18 H33 N9 O19 Ru -","- C18 H18 N9 O19 Ru -","- C72 H72 N36 O76 Ru4 -","4","0.333333","","M. Angustias Romero; Juan M. Salas; Michel Simard; Miguel Quirós; André L. Beauchamp","Platinum Group Metal - Ketoxime Complexes: Crystal Structure of Hydrogen fac-Tris(dimethylviolurato)ruthenate(II) Heptahydrate","Polyhedron","1990","9","","2733","2739","10.1016/S0277-5387(00)86804-7","","","","","","","0.036","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509262","20.537","0.007","8.653","0.003","18.846","0.006","90","","106.68","0.02","90","","3208.1","1.9","298","2","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Hg N8 O6 S4 -","- C24 H30 Hg N8 O6 S4 -","- C96 H120 Hg4 N32 O24 S16 -","4","0.5","","Angel García-Raso; Juan J. Fiol; G. Martorell; Adela López-Zafra; Miguel Quirós","Metallation of 2-sulfanilamidopyrimidine (sulfadiazine). X-ray diffraction structure and solution behaviour of bis(sulfadiazinato) mercury(II) bis(dimethylsulfoxide)","Polyhedron","1997","16","","613","621","10.1016/0277-5387(96)00317-8","","","0.71073","MoKα","","0.0527","0.0418","","","","0.0542","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509821","6.616","0.003","8.214","0.002","33.03","0.03","90","","90","","90","","1795","1.9","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.074","","","","0.07","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509822","6.15","0.002","9.426","0.002","28.448","0.004","90","","90","","90","","1649.1","0.7","298","2","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cu N2 O5 -","- C18 H18 Cu N2 O5 -","- C72 H72 Cu4 N8 O20 -","4","1","","Angel García-Raso; Juan J. Fiol; Ferrán Bádenas; Miguel Quirós","X-ray Diffraction Structures of Two N-Salicylidine Tryptophanato Diaquocopper(II) Complexes: Erythro and Threo Isomers","Polyhedron","1996","15","","4407","4413","10.1016/0277-5387(96)00212-4","","","0.71073","MoKα","","","0.057","","","","0.055","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1511760","7.584","0.001","10.07","0.002","10.389","0.002","88.01","0.02","69.81","0.02","72.6","0.01","708.5","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cr N2 O18 -","- C22 H31 Cr N2 O18 -","- C22 H31 Cr N2 O18 -","1","0.5","","Miguel Quirós; David M. L. Goodgame; David J. Williams","Crystal Structure and EPR Spectrum of Bispyridinium Bis(citrato)chromium(III) Tetrahydrate","Polyhedron","1992","11","","1343","1348","10.1016/S0277-5387(00)83364-1","","","1.54178","CuKα","","0.0375","0.035","","","","0.038","","","","","","1.54","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511761","5.036","0.004","9.626","0.01","8.128","0.004","74.65","0.05","88.96","0.04","84.65","0.09","378.3","0.5","292","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H14 Fe N4 O12 -","- C10 H14 Fe N4 O12 -","- C10 H14 Fe N4 O12 -","1","0.5","","Enrique J. Baran; Roberto C. Mercader; Francisco Hueso-Ureña; Miguel N. Moreno-Carretero; Miguel Quirós; Juan M. Salas","Crystal Structure, Raman and 57Fe Mössbauer Spectra of the FeII Complex of Iso-orotic Acid","Polyhedron","1996","15","","1717","1721","10.1016/0277-5387(95)00402-5","","","0.71073","MoKα","","0.095","0.078","","","","0.087","","","","","","1.58","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511762","9.298","0.002","16.376","0.003","11.006","0.001","90","","93.86","0.03","90","","1672","0.5","298","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl2 Cu N14 O6 -","- C24 H38 Cl2 Cu N14 O6 -","- C48 H76 Cl4 Cu2 N28 O12 -","2","0.5","","Antonio Panfil; Ángel Terrón; Juan J. Fiol; Miguel Quirós","Synthesis and Characterization of a Novel Copper(II)-Cytosine Complex: Tetrakis(cytosine)copper(II) Chloride Bis(dimethylacetamide) Solvate","Polyhedron","1994","13","","2513","2518","10.1016/S0277-5387(00)83092-2","","","0.71073","MoKα","","","0.065","","","","0.062","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511774","4.984","0.001","8.325","0.002","9.227","0.002","74.15","0.02","89.54","0.01","76.44","0.02","357.38","0.14","","","298","","","","","","","","","5","P -1","-P 1","2","","Diaqua-bis(4,5,6,7-tetrahydro-5,7-dioxo(1,2,4)triazolo(1,5-a)pyridimine) -manganese","","- C10 H10 Mn N8 O6 -","- C10 H10 Mn N8 O6 -","- C10 H10 Mn N8 O6 -","1","0.5","","Sonia Orihuela; M. Purificación Sánchez; Miguel Quirós; Daniel Martín; René Faure","First Tansition Row Metal Complexes with 4,5,6,7-Tetrahydro-5,7-dioxo-[1,2,4]triazolo-[1,5-a]pyrimidine","Polyhedron","1998","17","","2477","2481","10.1016/S0277-5387(98)00044-8","","","0.71073","MoKα","","","0.037","","","","0.067","","","","","","1.32","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512864","12.1286","0.0013","19.002","0.004","8.1452","0.0009","90","","90.46","0.01","90","","1877.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 Cu O2 -","- C6 H12 Cl2 Cu O2 -","- C48 H96 Cl16 Cu8 O16 -","8","2","","Ari Lehtonen; Raikko Kivekäs; Reijo Sillanpää","The separation of cis- and trans-1,3-cyclohexanediol isomers by copper complexation. Crystal structures of cis-1,3-cyclohexanediol and copper(II) chloride cis-1,3-cyclohexanediol complex","Polyhedron","2002","21","11","1133","1138","10.1016/S0277-5387(02)00934-8","","","0.71069","MoKα","","0.0918","0.0535","","","0.1032","0.1138","","","","","","1.145","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512865","13.5841","0.0003","16.3528","0.0004","21.0204","0.0005","90","","106.354","0.002","90","","4480.51","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O16 U2 -","- C40 H52 N4 O16 U2 -","- C160 H208 N16 O64 U8 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0773","0.0461","","","0.0823","0.09","","","","","","1.093","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512866","11.5007","0.0002","8.2049","0.0001","21.5198","0.0005","90","","92.9907","0.0007","90","","2027.89","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 O10 U -","- C40 H56 N2 O10 U -","- C80 H112 N4 O20 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.061","0.0296","","","0.0498","0.0557","","","","","","1.016","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512867","7.186","0.0002","13.5433","0.0005","14.3965","0.0005","92.854","0.002","94.564","0.002","92.227","0.002","1393.63","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","1","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0306","0.0289","","","0.0566","0.0574","","","","","","1.046","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512868","8.795","0.0001","20.8201","0.0004","10.9669","0.0002","90","","99.156","0.001","90","","1982.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H56 N2 O8 U -","- C42 H56 N2 O8 U -","- C84 H112 N4 O16 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0654","0.0312","","","0.0602","0.0675","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512869","14.8509","0.0003","10.9267","0.0004","16.7848","0.0007","90","","102.04","0.002","90","","2663.78","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 N2 O8 U -","- C26.97 H39.91 N O4 U0.5 -","- C107.88 H159.64 N4 O16 U2 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0651","0.0327","","","0.0648","0.0729","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512870","9.5394","0.0002","9.6303","0.0002","11.7396","0.0003","106.85","0.001","91.995","0.001","91.001","0.001","1031.13","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H60 N2 O8 U -","- C44 H60 N2 O8 U -","- C44 H60 N2 O8 U -","1","0.5","","Harri Sopo; Ari Väisänen; Reijo Sillanpää","Uranyl ion complexes with long chain aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2007","26","1","184","196","10.1016/j.poly.2006.08.006","","x-ray","0.71073","MoKα","","0.0281","0.028","","","0.0565","0.0566","","","","","","1.139","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512871","8.8922","0.0002","11.7134","0.0002","12.2525","0.0003","74.976","0.001","69.694","0.001","79.265","0.001","1149.42","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H66 N4 O8 U -","- C48 H66 N4 O8 U -","- C48 H66 N4 O8 U -","1","0.5","","Harri Sopo; Ari Väisänen; Reijo Sillanpää","Uranyl ion complexes with long chain aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2007","26","1","184","196","10.1016/j.poly.2006.08.006","","x-ray","0.71073","MoKα","","0.0293","0.0292","","","0.0591","0.0593","","","","","","1.132","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512872","9.1043","0.0003","10.9246","0.0004","13.0396","0.0004","93.197","0.002","108.741","0.002","93.142","0.002","1222.62","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H70 N4 O8 U -","- C50 H70 N4 O8 U -","- C50 H70 N4 O8 U -","1","0.5","","Harri Sopo; Ari Väisänen; Reijo Sillanpää","Uranyl ion complexes with long chain aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2007","26","1","184","196","10.1016/j.poly.2006.08.006","","x-ray","0.71073","MoKα","","0.0283","0.0274","","","0.0609","0.0614","","","","","","1.081","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512873","9.4243","0.0003","12.9906","0.0003","14.2802","0.0005","109.058","0.002","99.946","0.002","104.502","0.002","1536.7","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H94 N4 O8 U -","- C62 H94 N4 O8 U -","- C62 H94 N4 O8 U -","1","0.5","","Harri Sopo; Ari Väisänen; Reijo Sillanpää","Uranyl ion complexes with long chain aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2007","26","1","184","196","10.1016/j.poly.2006.08.006","","x-ray","0.71073","MoKα","","0.0369","0.0351","","","0.065","0.0659","","","","","","1.033","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512874","15.3013","0.0003","24.3376","0.0004","23.6905","0.0005","90","","108.254","0.001","90","","8378.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H124 N2 O8 U -","- C88 H123 N2 O8 U -","- C352 H492 N8 O32 U4 -","4","0.5","","Harri Sopo; Ari Väisänen; Reijo Sillanpää","Uranyl ion complexes with long chain aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2007","26","1","184","196","10.1016/j.poly.2006.08.006","","x-ray","0.71073","MoKα","","0.0511","0.0283","","","0.0579","0.0644","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512875","9.4697","0.0002","11.1762","0.0003","15.0633","0.0004","94.738","0.001","104.745","0.001","111.795","0.001","1403.4","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H86 N4 O6 U -","- C58 H86 N4 O6 U -","- C58 H86 N4 O6 U -","1","0.5","","Harri Sopo; Kamal Goljahanpoor; Reijo Sillanpää","Aminoalkylbis(phenolate) [O,N,O] donor ligands for uranyl(VI) ion coordination: Syntheses, structures, and extraction studies","Polyhedron","2007","26","13","3397","3408","10.1016/j.poly.2007.03.032","","x-ray","0.71073","MoKα","","0.0535","0.0484","","","0.0877","0.0922","","","","","","1.15","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512876","9.4543","0.0003","11.2111","0.0004","13.3303","0.0005","103.444","0.002","98.87","0.002","94.052","0.002","1349.4","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H84 N2 O6 U -","- C56 H84 N2 O6 U -","- C56 H84 N2 O6 U -","1","0.5","","Harri Sopo; Kamal Goljahanpoor; Reijo Sillanpää","Aminoalkylbis(phenolate) [O,N,O] donor ligands for uranyl(VI) ion coordination: Syntheses, structures, and extraction studies","Polyhedron","2007","26","13","3397","3408","10.1016/j.poly.2007.03.032","","x-ray","0.71073","MoKα","","0.048","0.0471","","","0.099","0.0999","","","","","","1.114","","","","has coordinates,has disorder","301776","2025-08-18","14:47:42",""
"1512877","9.4071","0.0002","11.7023","0.0002","15.3342","0.0004","100.565","0.001","105.633","0.001","95.305","0.002","1580.01","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H98 N4 O6 U -","- C64 H98 N4 O6 U -","- C64 H98 N4 O6 U -","1","0.5","","Harri Sopo; Kamal Goljahanpoor; Reijo Sillanpää","Aminoalkylbis(phenolate) [O,N,O] donor ligands for uranyl(VI) ion coordination: Syntheses, structures, and extraction studies","Polyhedron","2007","26","13","3397","3408","10.1016/j.poly.2007.03.032","","x-ray","0.71073","MoKα","","0.0464","0.0436","","","0.0812","0.0833","","","","","","1.115","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512878","9.9942","0.0002","25.7977","0.0005","10.8009","0.0003","90","","98.197","0.001","90","","2756.32","0.11","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H88 N2 O6 U -","- C60 H88 N2 O6 U -","- C120 H176 N4 O12 U2 -","2","0.5","","Harri Sopo; Kamal Goljahanpoor; Reijo Sillanpää","Aminoalkylbis(phenolate) [O,N,O] donor ligands for uranyl(VI) ion coordination: Syntheses, structures, and extraction studies","Polyhedron","2007","26","13","3397","3408","10.1016/j.poly.2007.03.032","","x-ray","0.71073","MoKα","","0.0764","0.0435","","","0.0712","0.0798","","","","","","1.103","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512902","22.96","0.008","15.372","0.005","27.916","0.01","90","","100.058","0.006","90","","9701","6","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(3) Hf4(O)(cat)6(cat-H)2(py)4","","","- C68 H52 Hf4 N4 O17 -","- C68 H52 Hf4 N4 O17 -","- C272 H208 Hf16 N16 O68 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.1458","0.112","","","0.2854","0.3038","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512903","9.9941","0.0012","10.3747","0.0012","31.784","0.004","90","","97.73","0.002","90","","3265.6","0.7","168","2","168","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4) Nb(cat)2(cat-H)(py)","","","- C38 H32 N4 Nb O6 -","- C38 H32 N4 Nb O6 -","- C152 H128 N16 Nb4 O24 -","4","1","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.0724","0.0449","","","0.1032","0.1196","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512904","10.5834","0.0015","11.7465","0.0016","20.504","0.003","105.338","0.002","92.582","0.002","95.276","0.002","2441.4","0.6","273","2","273","2","","","","","","","","5","P -1","-P 1","2","(5) [Ta(cat)3(py)]","","","- C28 H22 N2 O6 Ta -","- C28 H22 N2 O6 Ta -","- C112 H88 N8 O24 Ta4 -","4","2","","Timothy J. Boyle; Louis J. Tribby; Todd M. Alam; Scott D. Bunge; Gregory P. Holland","Catechol derivatives of Group 4 and 5 compounds","Polyhedron","2005","24","10","1143","1152","10.1016/j.poly.2005.03.055","","","0.71073","MoKα","","0.0527","0.0396","","","0.0802","0.0863","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512905","13.44","0.002","13.442","0.002","14.26","0.002","107.272","0.002","97.817","0.002","96.66","0.002","2403.7","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(2) Zr4(O)2(OFc)2(OPri)10","","","- C32 H72 O16 Zr4 -","- C32 H72 O16 Zr4 -","- C64 H144 O32 Zr8 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0777","0.051","","","0.1234","0.1422","","","","","","1.038","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512906","9.8983","0.0018","10.6175","0.0019","18.776","0.003","80.995","0.003","75.404","0.003","84.231","0.003","1882.2","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(3) Zr3(O)(OAc)5(OPri)5","","","- C25 H50 O16 Zr3 -","- C25 H50 O16 Zr3 -","- C50 H100 O32 Zr6 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0645","0.0398","","","0.0877","0.105","","","","","","1.034","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512907","11.208","0.002","12.049","0.002","14.234","0.003","85.227","0.003","81.458","0.003","67.976","0.003","1761.4","0.6","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(4) [Zr2(m-OPc)2(m-OPri)2(OPri)4]2","","","- C52 H112 O20 Zr4 -","- C52 H112 O20 Zr4 -","- C52 H112 O20 Zr4 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1693","0.0868","","","0.1136","0.1342","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512908","12.737","0.003","12.943","0.003","15.756","0.004","76.786","0.004","86.427","0.004","61.086","0.003","2209.9","0.9","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(5) Zr2(OBc)(OPri)7(HOPri)*(HOPri)","","","- C32 H74 O11 Zr2 -","- C32 H74 O11 Zr2 -","- C64 H148 O22 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.0716","0.0635","","","0.1686","0.1774","","","","","","1.034","","","","has coordinates,has disorder","301776","2025-08-18","14:47:42",""
"1512909","9.644","0.005","13.548","0.007","18.337","0.009","82.959","0.007","77.981","0.008","71.51","0.007","2218","2","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(6) Zr2(ONc)(HONc)(OPRi)7","","","- C33 H71 O11 Zr2 -","- C33 H71 O11 Zr2 -","- C66 H142 O22 Zr4 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.2225","0.1179","","","0.2126","0.2566","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512910","23.789","0.004","9.2954","0.0016","27.339","0.005","90","","115.287","0.003","90","","5466.2","1.7","168","2","168","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(8) Zr3(m-O)(OAc)3(ONep)7","","","- C41 H86 O14 Zr3 -","- C41 H86 O14 Zr3 -","- C164 H344 O56 Zr12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1251","0.0588","","","0.1299","0.1677","","","","","","0.978","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512911","10.158","0.012","10.195","0.012","11.147","0.013","86.68","0.03","88.4","0.02","84.5","0.03","1147","2","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(9)Zr2OPc2ONEP6","","","- C38 H82 O10 Zr2 -","- C38 H82 O10 Zr2 -","- C38 H82 O10 Zr2 -","1","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1715","0.0758","","","0.1653","0.214","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512914","15.051","0.008","15.642","0.009","25.761","0.015","95.09","0.011","93.18","0.011","117.329","0.01","5335","5","168","2","168","2","","","","","","","","4","P -1","-P 1","2","(11) Zr5(O)3(ONc)6(ONep)8*(HONep)+0.5(Tol)","","","- C84.5 H170 O24 Zr5 -","- C81 H165 O24 Zr5 -","- C162 H330 O48 Zr10 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized carboxylic acid modified zirconium alkoxides for the production of zirconium oxide thin films","Polyhedron","2005","24","13","1727","1738","10.1016/j.poly.2005.05.005","","","0.71073","MoKα","","0.1238","0.0658","","","0.1491","0.1704","","","","","","0.986","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1512915","9.085","0.003","16.764","0.005","18.141","0.006","70.307","0.005","85.569","0.006","89.84","0.005","2592.7","1.4","203","2","203","2","","","","","","","","6","P -1","-P 1","2","(1) Mg(TFA)2(py)4","","","- C24 H20 F6 Mg N4 O4 -","- C24 H20 F6 Mg N4 O4 -","- C96 H80 F24 Mg4 N16 O16 -","4","2","","Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem","Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives","Polyhedron","2007","26","17","5095","5103","10.1016/j.poly.2007.07.009","","","0.71073","MoKα","","0.1486","0.108","","","0.2807","0.3055","","","","","","1.094","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512916","10.0952","0.0006","20.8523","0.0013","17.1268","0.0011","90","","90.58","0.001","90","","3605.1","0.4","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(2) [Ca2(u-TFA)3(THF)4](u-TFA)","","","- C24 H32 Ca2 F12 O12 -","- C24 H32 Ca2 F12 O12 -","- C96 H128 Ca8 F48 O48 -","4","1","","Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem","Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives","Polyhedron","2007","26","17","5095","5103","10.1016/j.poly.2007.07.009","","","0.71073","MoKα","","0.1123","0.0961","","","0.2522","0.268","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512917","18.967","0.013","14.068","0.01","8.31","0.006","90","","90","","90","","2217","3","203","2","203","2","","","","","","","","6","P n a 21","P 2c -2n","33","(3) (u-TFA)2Sr(H-TFA)","","","- C16 H11 F9 N2 O6 Sr -","- C16 H10 F9 N2 O6 Sr -","- C64 H40 F36 N8 O24 Sr4 -","4","1","","Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem","Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives","Polyhedron","2007","26","17","5095","5103","10.1016/j.poly.2007.07.009","","","0.71073","MoKα","","0.1123","0.054","","","0.1016","0.1221","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512918","13.177","0.003","19.169","0.004","8.5978","0.0017","90","","102.418","0.003","90","","2120.9","0.8","203","2","203","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(4)Ba(TFA)2(H-TFA)py","","","- C16 H11 Ba F9 N2 O6 -","- C16 H11 Ba F9 N2 O6 -","- C64 H44 Ba4 F36 N8 O24 -","4","1","","Timothy J. Boyle; Pratt, III, Harry D.; Todd M. Alam; Mark A. Rodriguez; Paul G. Clem","Synthesis and characterization of solvated trifluoroacetate alkaline earth derivatives","Polyhedron","2007","26","17","5095","5103","10.1016/j.poly.2007.07.009","","","0.71073","MoKα","","0.0549","0.0395","","","0.0767","0.0824","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512919","11.07","0.007","15.828","0.01","10.706","0.007","90","","95.333","0.01","90","","1868","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N2 O4 S2 Ti -","- C16 H22 N2 O4 S2 Ti -","- C64 H88 N8 O16 S8 Ti4 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0366","0.0325","","","0.08","0.0824","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512920","9.8761","0.0014","10.5179","0.0015","12.7351","0.0018","95.878","0.003","104.109","0.002","105.309","0.002","1217.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 N2 O4 S2 Ti -","- C20 H30 N2 O4 S2 Ti -","- C40 H60 N4 O8 S4 Ti2 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0733","0.0578","","","0.1568","0.1703","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512921","13.319","0.003","14.978","0.003","10.685","0.002","90","","95.781","0.003","90","","2120.7","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ti(2MPO)2(OBut)2","","","- C18 H26 N2 O4 S2 Ti -","- C18 H26 N2 O4 S2 Ti -","- C72 H104 N8 O16 S8 Ti4 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0565","0.0516","","","0.1557","0.1611","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512922","11.241","0.003","18.098","0.005","21.567","0.006","86.3","0.004","89.248","0.004","75.033","0.004","4230","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N6 O12 Ti3 -","- C60 H84 N6 O12 Ti3 -","- C120 H168 N12 O24 Ti6 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0918","0.0748","","","0.2156","0.2286","","","","","","1.07","","","","has coordinates,has disorder","301776","2025-08-18","14:47:42",""
"1512923","15.8","0.002","16.544","0.002","27.596","0.004","90","","90","","90","","7213.5","1.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H72 N6 O12 Zr3 -","- C54 H72 N6 O12 Zr3 -","- C216 H288 N24 O48 Zr12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0354","0.0324","","","0.0799","0.0816","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512924","12.654","0.0013","12.9686","0.0013","19.864","0.002","90","","90","","90","","3259.8","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H22 Br3 La O9 -","- C2 H22 Br3 La O9 -","- C16 H176 Br24 La8 O72 -","8","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0194","0.0158","","","0.0333","0.0344","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512925","8.386","0.0012","8.386","0.0012","6.8655","0.0019","90","","90","","120","","418.13","0.14","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C6 H24 Br2 Ca O6 -","- C6 H24 Br2 Ca O6 -","- C6 H24 Br2 Ca O6 -","1","0.166667","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0426","0.0399","","","0.1027","0.1038","","","","","","1.298","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512926","10.1803","0.0016","14.794","0.002","10.6387","0.0017","90","","106.532","0.002","90","","1536","0.4","173","2","173","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C5 H20 Br3 La O5 -","- C5 H20 Br3 La O5 -","- C20 H80 Br12 La4 O20 -","4","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0257","0.0237","","","0.0494","0.0521","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512927","12.3556","0.0014","9.9655","0.0011","12.5633","0.0014","90","","90","","90","","1546.9","0.3","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C5 H15 Br3 La O5 -","- C5 H15 Br3 La O5 -","- C20 H60 Br12 La4 O20 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0464","0.0458","","","0.1135","0.1139","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512928","8.75","0.005","18.635","0.011","8.278","0.005","90","","108.958","0.008","90","","1276.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 Cl6 La2 O8 -","- C8 H32 Cl6 La2 O8 -","- C16 H64 Cl12 La4 O16 -","2","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0175","0.0173","","","0.0435","0.0437","","","","","","1.263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512929","15.941","0.003","8.5737","0.0014","20.14","0.003","90","","93.625","0.002","90","","2747.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H40 I3 La O10 -","- C10 H40 I3 La O10 -","- C40 H160 I12 La4 O40 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.021","0.0187","","","0.0454","0.0552","","","","","","1.184","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512930","8.783","0.003","13.884","0.005","14.54","0.005","90","","90","","90","","1773.1","1.1","181","2","181","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H24 Br3 O3 Sc -","- C12 H24 Br3 O3 Sc -","- C48 H96 Br12 O12 Sc4 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0986","0.0967","","","0.3862","0.3895","","","","","","2.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512931","8.2662","0.0013","9.3601","0.0015","15.485","0.002","79.185","0.002","87.106","0.002","74.956","0.002","1136.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 Br3 Nd O4 -","- C16 H32 Br3 Nd O4 -","- C32 H64 Br6 Nd2 O8 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0505","0.0463","","","0.1264","0.1282","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512932","16.998","0.002","17.515","0.002","32.617","0.005","90","","90","","90","","9711","2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 N4 Nd -","- C20 H20 Br3 N4 Nd -","- C320 H320 Br48 N64 Nd16 -","16","2","","Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre","Structural characterization of methanol substituted lanthanum halides","Polyhedron","2010","29","7","1784","1795","10.1016/j.poly.2010.02.027","","","0.71073","MoKα","","0.0866","0.0386","","","0.0619","0.0796","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512946","17.7947","0.0005","14.4615","0.0004","23.7863","0.0006","90","","102.38","","90","","5978.8","0.3","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H74 Cl2 N2 Ni2 S15 -","- C42 H74 Cl2 N2 Ni2 S15 -","- C168 H296 Cl8 N8 Ni8 S60 -","4","1","","Jonathan G. Breitzer; Thomas B. Rauchfuss","Studies on α-C~3~S~5~^2-^ (dmit^2^) and its dinuclear Ni(II) complex: spectroscopic and structural characterization","Polyhedron","2000","19","10","1283","1291","10.1016/S0277-5387(00)00381-8","","","0.71073","MoKα","","0.1424","0.0665","","","0.1032","0.1305","","","","","","1.077","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512978","13.9443","0.0016","6.895","0.0008","19.39","0.002","90","","109.953","0.002","90","","1752.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C76 H84 N12 O16 -","4","1","","P. Mosae Selvakumar; E. Suresh; P.S. Subramanian","Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association","Polyhedron","2007","26","4","749","756","10.1016/j.poly.2006.09.004","","","0.71073","MoKα","","0.0646","0.0534","","","0.1285","0.1443","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512979","7.0141","0.0008","8.0449","0.0009","30.487","0.003","90","","90.972","0.002","90","","1720.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 Cl2 N3 O2 -","- C18 H15 Cl2 N3 O2 -","- C72 H60 Cl8 N12 O8 -","4","1","","P. Mosae Selvakumar; E. Suresh; P.S. Subramanian","Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association","Polyhedron","2007","26","4","749","756","10.1016/j.poly.2006.09.004","","","0.71073","MoKα","","0.0645","0.0482","","","0.1237","0.1448","","","","","","1.069","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512980","10.2073","0.0016","12.1721","0.0019","13.776","0.002","74.189","0.003","74.273","0.003","80.569","0.003","1577.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 Cu N6 O6 -","- C36 H32 Cu N6 O6 -","- C72 H64 Cu2 N12 O12 -","2","1","","P. Mosae Selvakumar; E. Suresh; P.S. Subramanian","Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association","Polyhedron","2007","26","4","749","756","10.1016/j.poly.2006.09.004","","","0.71073","MoKα","","0.0915","0.0621","","","0.1526","0.1809","","","","","","1.018","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512981","23.197","0.002","6.7034","0.0006","22.443","0.002","90","","90.918","0.003","90","","3489.4","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 Cl2 Cu0.5 N3 O2 -","- C18 H14 Cl2 Cu0.5 N3 O2 -","- C144 H112 Cl16 Cu4 N24 O16 -","8","1","","P. Mosae Selvakumar; E. Suresh; P.S. Subramanian","Synthesis, spectral characterization and structural investigation on some 4-aminoantipyrine containing Schiff base Cu(II) complexes and their molecular association","Polyhedron","2007","26","4","749","756","10.1016/j.poly.2006.09.004","","","0.71073","MoKα","","0.0487","0.0382","","","0.0954","0.0997","","","","","","1.09","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512982","7.0926","0.0007","9.5222","0.001","11.4002","0.0012","80.361","0.002","81.178","0.002","85.604","0.002","749.06","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cu N3 O6 S -","- C13 H15 Cu N3 O6 S -","- C26 H30 Cu2 N6 O12 S2 -","2","1","","Amal Cherian Kathalikkattil; Kamal Kumar Bisht; P.S. Subramanian; Eringathodi Suresh","Synthesis, characterization and X-ray crystallographic investigation of 2-D hybrid hydrogen bonded and rectangular grid networks in Cu(II) and Co(II) metal complexes","Polyhedron","2010","29","7","1801","1809","10.1016/j.poly.2010.02.036","","","0.71073","MoKα","","0.0837","0.0728","","","0.1675","0.1754","","","","","","1.206","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1512983","11.53","0.004","13.921","0.005","10.17","0.004","90","","95.452","0.006","90","","1625","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Co N3 O7 S -","- C13 H15 Co N3 O7 S -","- C52 H60 Co4 N12 O28 S4 -","4","1","","Amal Cherian Kathalikkattil; Kamal Kumar Bisht; P.S. Subramanian; Eringathodi Suresh","Synthesis, characterization and X-ray crystallographic investigation of 2-D hybrid hydrogen bonded and rectangular grid networks in Cu(II) and Co(II) metal complexes","Polyhedron","2010","29","7","1801","1809","10.1016/j.poly.2010.02.036","","","0.71073","MoKα","","0.1107","0.0869","","","0.2088","0.2213","","","","","","1.105","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1513033","22.541","0.015","7.805","0.005","3.786","0.002","90","","92.533","0.019","90","","665.4","0.7","198","2","198","2","","","","","","","","5","C 1 2 1","C 2y","5","Ag(I)-complex of 3-pyridin aldehyde","","","- C12 H10 Ag N3 O5 -","- C12 H10 Ag N3 O5 -","- C24 H20 Ag2 N6 O10 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties","Polyhedron","2011","30","2","241","245","10.1016/j.poly.2010.10.008","","","0.71073","MoKα","","0.0772","0.0629","","","0.1348","0.1417","","","","","","0.869","","","","has coordinates","218750","2020-10-21","18:00:00",""
"1513034","5.8478","0.0016","19.156","0.006","12.328","0.004","90","","90","","90","","1381","0.7","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","Zn(II)-complex of 3-pyridin aldehyde","","","- C12 H10 Cl2 N2 O2 Zn -","- C12 H10 Cl2 N2 O2 Zn -","- C48 H40 Cl8 N8 O8 Zn4 -","4","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties","Polyhedron","2011","30","2","241","245","10.1016/j.poly.2010.10.008","","","0.71073","MoKα","","0.0402","0.0301","","","0.0668","0.07","","","","","","1.129","","","","has coordinates","218750","2020-10-21","18:00:00",""
"1513035","12.817","0.002","19.633","0.003","8.0457","0.0013","90","","95.544","0.005","90","","2015.1","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl4 N10 O4 Zn -","- C10 H16 Cl4 N10 O4 Zn -","- C40 H64 Cl16 N40 O16 Zn4 -","4","1","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0402","0.0302","","","0.0731","0.0767","","","","","","1.264","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513036","7.024","0.004","13.676","0.007","9.398","0.005","90","","90","","90","","902.8","0.8","293","2","293","2","","","","","","","","5","I m m 2","I 2 -2","44","bis(8-aminoquinolinium) tetrachlorozincate(II)","","","- C15 H13 Cl4 N3 Zn -","- C15 H13 Cl4 N3 Zn -","- C30 H26 Cl8 N6 Zn2 -","2","0.25","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0575","0.0452","","","0.0866","0.0914","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513037","7.044","0.007","11.936","0.013","9.775","0.011","90","","109.3","0.03","90","","775.7","1.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H24 Cl2 N2 O4 -","- C12 H24 Cl2 N2 O4 -","- C24 H48 Cl4 N4 O8 -","2","0.5","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.1643","0.1163","","","0.2307","0.2655","","","","","","0.98","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1513038","22.703","0.003","6.9191","0.0012","18.637","0.003","90","","90","","90","","2927.6","0.8","294","2","294","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C32 H75 Cl16 N8 O8 Zn4 -","- C32 H75 Cl16 N8 O8 Zn4 -","- C64 H150 Cl32 N16 O16 Zn8 -","2","0.5","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.087","0.0811","","","0.2003","0.2058","","","","","","1.013","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1513039","8.376","0.003","8.495","0.004","13.243","0.006","99.284","0.016","90.049","0.016","97.645","0.017","921.4","0.7","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl4 N2 O3 Zn -","- C12 H24 Cl4 N2 O3 Zn -","- C24 H48 Cl8 N4 O6 Zn2 -","2","1","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.1072","0.0569","","","0.1143","0.1337","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513040","15.177","0.01","8.099","0.005","16.636","0.01","90","","91.48","0.03","90","","2044","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2,2':6',2''-terpyridinium tetrachlorozincate(II)","","","- C18 H16 Cl4 N2 O2 Zn -","- C18 H16 Cl4 N2 O2 Zn -","- C72 H64 Cl16 N8 O8 Zn4 -","4","0.5","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0966","0.0777","","","0.1862","0.2008","","","","","","0.969","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513041","6.6353","0.0011","13.732","0.002","14.173","0.002","90","","91","0.005","90","","1291.2","0.3","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 Cl4 N2 O Zn -","- C6 H15 Cl4 N2 O Zn -","- C24 H60 Cl16 N8 O4 Zn4 -","4","1","","Lamshöft, Marc; Storp, Jürgen; Ivanova, Bojidarka; Spiteller, Michael","Gas-phase CT-stabilized Ag(I) and Zn(II) metal-organic complexes–experimental vs. theoretical study","Polyhedron","2011","30","","2564","","10.1016/j.poly.2011.07.003","","","0.71073","MoKα","","0.0463","0.0345","","","0.0833","0.0881","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1523956","19.865","","11.469","","9.94","","90","","109.02","","90","","2141.01","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Ba8 Cu2 O54 Ti22","","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba6 Cu1.328 O49 Ti16.176 -","- Ba12 Cu2.656 O98 Ti32.352 -","2","0.25","","Adams, R.D.; Layland, R.C.","A barium coppper titanate. The synthesis and structural characterization of Ba8 Cu2 Ti22 O54","Polyhedron","1997","16","","2105","2108","","","","","","","","","","","","","","","","","","","","","","has coordinates","144586","2020-10-21","18:00:00",""
"1528399","6.488","","7.3551","","9.8309","","100.25","","99.212","","110.53","","419.534","","","","","","","","","","","","","5","P -1","-P 1","2","","Cu2 (H C O O)4 ((C H3)2 N C H O)2","","- C10 H18 Cu2 N2 O10 -","- C10 H18 Cu2 N2 O10 -","- C10 H18 Cu2 N2 O10 -","1","0.5","","Cejudo, R.; Alzuet, G.; Liu-Gonzalez, M.; Borras, J.; Sanz-Ruiz, F.","Crystal structure, magnetic and spectroscopic properties of copper(II) formato dimethylformamide: a new tetracarboxylato-bridged copper(II) dimer","Polyhedron","2002","21","","1057","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","150568","2020-10-21","18:00:00",""
"1528411","8.144","","10.216","","12.418","","90","","105.577","","90","","995.219","","","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","Ga Cl3 ((C H3)3 P O)","","- C3 H9 Cl3 Ga O P -","- C3 H9 Cl3 Ga O P -","- C12 H36 Cl12 Ga4 O4 P4 -","4","1","","Cheng Fei; Codgbrook, H.L.; Zhang Wenjian; Hector, A.L.; Reid, G.; Webster, M.; Levason, W.","Gallium(III) halide complexes with phosphines, arsines and phosphine oxides - a comparative study","Polyhedron","2007","26","","4147","4155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528412","12.259","","12.259","","32.976","","90","","90","","90","","4955.73","","","","","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","(Ga I2 ((C H3)3 P O)2) (Ga I4)","","- C6 H18 Ga2 I6 O2 P2 -","- C6 H18 Ga2 I6 O2 P2 -","- C48 H144 Ga16 I48 O16 P16 -","8","1","","Cheng Fei; Codgbrook, H.L.; Webster, M.; Hector, A.L.; Reid, G.; Levason, W.; Zhang Wenjian","Gallium(III) halide complexes with phosphines, arsines and phosphine oxides - a comparative study","Polyhedron","2007","26","","4147","4155","","","","","","","","","","","","","","","","","","","","","","has coordinates","150588","2020-10-21","18:00:00",""
"1528665","9.071","","11.813","","13.659","","90","","101.41","","90","","1434.71","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Sr (Pb Cl3)2 (H2 O)5","","- Cl6 H10 O5 Pb2 Sr -","- Cl6 H10 O5 Pb2 Sr -","- Cl24 H40 O20 Pb8 Sr4 -","4","0.5","","Abraham, I.; Benoit, D.M.; Demetriou, D.Z.; Mustarde, K.; Vordemvenne, E.","Lone pair effects in trihalo-stannate and -plumbate anions in the crystal structures of Sr(MX3)(2) center dot 5H(2)O(M = Sn, X = Cl, Br; M = Pb, X = Br)","Polyhedron","2006","25","","996","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528743","10.7614","","21.68","","24.724","","100.854","","89.542","","96.211","","5631.39","","","","","","","","","","","","","5","P -1","-P 1","2","","(Mg (C H2 Si (C H3)3) (O C H2 Si (C H3)3))4","","- C32 H88 Mg4 O4 Si8 -","- C32 H88 Mg4 O4 Si8 -","- C128 H352 Mg16 O16 Si32 -","4","2","","Moreno, C.A.; Bochmann, M.; Hughes, D.L.","Synthesis and molecular structure of [Mg (C H2 Si Me3) (mu3-O C H2 Si Me3)]4","Polyhedron","2007","26","","2523","2526","","","","","","","","","","","","","","","","","","","","","","has coordinates","151371","2020-10-21","18:00:00",""
"1528891","13.9859","","21.187","","4.54","","90","","90","","90","","1345.29","","","","","","","","","","","","","4","I b a 2","I 2 -2c","45","","Sn (C H3 C O O)2","","- C4 H6 O4 Sn -","- C4 O4 Sn -","- C32 O32 Sn8 -","8","1","","Stafeeva, V.S.; Mitiaev, A.S.; Abakumov, A.M.; Antipov, E.V.; Makarevich, A.M.; Tsirlin, A.A.","Crystal structure and chemical bonding in tin(II) acetate","Polyhedron","2007","26","","5365","5369","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528945","18.6838","","18.6838","","13.3829","","90","","90","","90","","4671.76","","","","","","","","","","","","","6","I -4","I -4","82","","(Mn12 O12 ((C F2 Cl) C O O)16 (H2 O)4) (H2 O)4","","- C32 H16 Cl16 F32 Mn12 O52 -","- C32 H16 Cl16 F32 Mn12 O52 -","- C64 H32 Cl32 F64 Mn24 O104 -","2","0.25","","Tsai Huilieu; Shiao Hongann; Lee Genehsiang; Wur Chingshuei; Jwo Tunyih; Yang Cheni","Single-molecule magnets: [Mn12 O12 (O2 C C F2 Cl)16 (H2 O)4](0/-)","Polyhedron","2005","24","","2205","2214","","","","","","","","","","","","","","","","","","","","","","has coordinates","151797","2020-10-21","18:00:00",""
"1529001","28.666","","7.225","","7.776","","90","","105.41","","90","","1552.6","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(N H4)2 Mn3 (H2 O)4 (Mo (C N)7)2 (H2 O)5","","- C8 Mn3 Mo2 N10 O9 -","- C8 Mn3 Mo2 N10 O9 -","- C32 Mn12 Mo8 N40 O36 -","4","0.5","","Willemin, S.; Le Goff, X.F.; Larionova, J.; Bolvin, H.; Donnadieu, B.; Ruiz, E.; Guerin, C.; Henner, B.","Cation templation of Mn(2+)/[Mo (C N)7](4-) system: formation of pseudo-dimorphs (N H4)2 Mn3 (H2 O)4 [Mo (C N)7]2 . nH2 O (n = 4,5)","Polyhedron","2005","24","","1033","1046","","","","","","","","","","","","","","","","","","","","","","has coordinates","151896","2020-10-21","18:00:00",""
"1529226","7.389","0.006","7.631","0.006","10.082","0.008","101.278","0.008","96.786","0.008","108.066","0.008","520.2","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Hexaaquanickel(II) bis(2-thiobarbiturate) dihydrate","","- C8 H26 N4 Ni O14 S2 -","- C8 H26 N4 Ni O14 S2 -","- C8 H26 N4 Ni O14 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","","","0.71073","MoKα","","0.0616","0.0467","","","0.1511","0.166","","","","","","1.028","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""
"1529227","6.88172","0.00041","7.0516","0.00045","7.19068","0.00044","91.0836","0.0026","103.514","0.0026","113.128","0.0017","309.61","0.03","300","","300","","","","","","","","","6","P -1","-P 1","2","","Catena-bis(2-thiobarbiturato)diaquanickel(II)","","- C8 H10 N4 Ni O6 S2 -","- C8 H10 N4 Ni O6 S2 -","- C8 H10 N4 Ni O6 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.33","4.635","","","2.153","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529228","6.89222","0.00035","7.03836","0.00037","7.25361","0.00031","91.4988","0.002","102.659","0.0021","113.512","0.0014","312.27","0.03","300","","300","","","","","","","","","6","P -1","-P 1","2","","Catena-bis(2-thiobarbiturato)diaquacobalt(II)","","- C8 H10 Co N4 O6 S2 -","- C8 H10 Co N4 O6 S2 -","- C8 H10 Co N4 O6 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.12","1.277","","","1.13","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529229","6.87606","0.00033","7.08625","0.00037","7.27721","0.00031","91.1743","0.0018","102.687","0.0019","113.471","0.0012","314.99","0.03","300","","300","","","","","","","","","6","P -1","-P 1","2","","Catena-bis(2-thiobarbiturato)diaquairon(II)","","- C8 H10 Fe N4 O6 S2 -","- C8 H10 Fe N4 O6 S2 -","- C8 H10 Fe N4 O6 S2 -","1","0.5","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor; Sidorenko, Maxim; Dmitrushkov, Michael","Crystal structure and properties of the precursor [Ni(H2O)6](HTBA)2.2H2O and the complexes M(HTBA)2(H2O)2 (M=Ni, Co, Fe)","Polyhedron","2014","70","0","71","","10.1016/j.poly.2013.12.021","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.231","1.535","","","1.239","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"1529231","4.2541","0.0006","14.739","0.002","16.635","0.003","90","","90","","90","","1043","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-thiobarbiturato-O,O,O' O',S,S)potassium","","- C8 H11 K N2 O2 S -","- C8 H11 K N2 O2 S -","- C32 H44 K4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.0476","0.0321","","","0.058","0.0642","","","","","","1.03","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529232","10.5339","0.0018","7.6036","0.0013","14.186","0.002","90","","108.964","0.004","90","","1074.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-(mu~4~-thiobarbiturato-O,O,O',S)sodium","","- C8 H11 N2 Na O2 S -","- C8 H11 N2 Na O2 S -","- C32 H44 N8 Na4 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.114","0.0463","","","0.1077","0.1317","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529233","10.6778","0.0013","7.2687","0.0009","13.2021","0.0016","90","","108.841","0.002","90","","969.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-(mu~4~-thiobarbiturato-O,O,O',S)lithium","","- C8 H11 Li N2 O2 S -","- C8 H11 Li N2 O2 S -","- C32 H44 Li4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.0939","0.0462","","","0.0945","0.1103","","","","","","1.015","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529239","4.5236","0.0009","14.739","0.003","16.937","0.004","90","","90","","90","","1129.2","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-cesium","","- C8 H11 Cs N2 O2 S -","- C8 H11 Cs N2 O2 S -","- C32 H44 Cs4 N8 O8 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0318","0.0233","","","0.0428","0.0453","","","","","","1.008","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""
"1529240","8.472","0.002","8.853","0.004","8.964","0.002","98.436","0.004","116.059","0.003","109.916","0.004","531.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","ammonium 1,3-diethyl-2-thiobarbiturate","","- C8 H15 N3 O2 S -","- C8 H15 N3 O2 S -","- C16 H30 N6 O4 S2 -","2","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0502","0.039","","","0.1071","0.1156","","","","","","1.045","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""
"1529241","4.373","0.0009","14.789","0.003","16.923","0.003","90","","90","","90","","1094.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-rubidium","","- C8 H11 N2 O2 Rb S -","- C8 H11 N2 O2 Rb S -","- C32 H44 N8 O8 Rb4 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0509","0.0343","","","0.0588","0.0629","","","","","","1.001","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529242","4.3767","0.0004","14.7003","0.0014","16.6064","0.0016","90","","90","","90","","1068.44","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-thallium","","- C8 H11 N2 O2 S Tl -","- C8 H11 N2 O2 S Tl -","- C32 H44 N8 O8 S4 Tl4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0342","0.0263","","","0.0436","0.0455","","","","","","0.999","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""
"1532317","28.398","","6.418","","22.397","","90","","123.53","","90","","3402.78","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Co (N H3)5 (N O2)) (Fe (C N)5 (N O)) (H2 O)1.5","","- C5 H18 Co Fe N12 O4.5 -","- C5 H18 Co Fe N12 O4.5 -","- C40 H144 Co8 Fe8 N96 O36 -","8","1","","Soria, D.B.; Chacon Villalba, M.E.; Piro, O.E.; Aymonino, P.J.","Crystal and molecular structure and photoisomerisation of nitropentaamminecobalt(III) nitroprusside sesquihydrate, (Co (N H3)5 N O2) (Fe (C N)5 N O) * 1.5(H2 O)","Polyhedron","2002","21","","1767","1774","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534416","11.7054","","6.1421","","13.984","","90","","96.745","","90","","998.431","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H4)3 (N3 S3 O6)","","- H12 N6 O6 S3 -","- H12 N6 O6 S3 -","- H48 N24 O24 S12 -","4","1","","Rustad, D. S.","The correct triammonium trisulfimide (triammonium 1,3,5,2,4,6-trithiatriazine,1,1,3,3,5,5-hexoxide), (N H4)3 N3 S3 O6","Polyhedron","2001","20","","2439","2444","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534420","7.4163","","15.079","","9.75","","90","","98.292","","90","","1078.95","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(N H4)3 (N3 O6 S3) (H N (S O3 (N H4))2)","","- H21 N9 O12 S5 -","- H21 N9 O12 S4.98 -","- H42 N18 O24 S9.96 -","2","0.5","","Rustad, D. S.","The correct triammonium trisulfimide (triammonium 1,3,5,2,4,6-trithiatriazine,1,1,3,3,5,5-hexoxide), (N H4)3 N3 S3 O6","Polyhedron","2001","20","","2439","2444","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534510","13.113","","20.098","","16.278","","90","","95.917","","90","","4267.13","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(N H4)10 (P2 W18 Cd4 (H2 O)2 O68) (H2 O)27","","- Cd4 H98 N10 O97 P2 W18 -","- Cd4 N10 O97 P2 W18 -","- Cd8 N20 O194 P4 W36 -","2","0.5","","Alizadeh, M.H.; Mohammadi Zonoz, F.; Razavi, H.; Mohammadi, M.R.","Synthesis, single-crystal structural determination and solution characterization of a new sandwich-type cadmium - containing heteropolytungstate","Polyhedron","2003","22","","933","939","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534880","11.992","","17.1","","18.038","","90","","105.89","","90","","3557.59","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Na3 (N H4)3 (V10 O28) (H2 O)12","","- H36 N3 Na3 O40 V10 -","- H36 N3 Na3 O40 V10 -","- H144 N12 Na12 O160 V40 -","4","1","","Maciejewska, G.; Nosek, M.; Glovyak, T.; Starosta, J.; Cieslak-Golonka, M.","Catalytical decomposition of L-glutamic acid and L-glutamine vanadium species. Electronic spectra of ammonium-sodium oligovanadates isolated from the system (Na V O3 (V O S O4) - Glu(Gln)). Crystal structure of Na3 (N H4)3 (V10 O28) * 12(H2 O)","Polyhedron","2003","22","","1415","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535003","7.642","","9.66","","10.771","","89.37","","86.72","","81.89","","785.889","","","","","","","","","","","","","5","P -1","-P 1","2","","(N (C H3)4) B9 Cl2.73 H11.27","","- C4 H23.27 B9 Cl2.73 N -","- C4 H23 B9 Cl2.727 N -","- C8 H46 B18 Cl5.454 N2 -","2","1","","Hamilton, E.J.M.; Liu, J.; Meyers, E.A.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535006","9.729","","10.682","","14","","90","","96.91","","90","","1444.38","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4) B9 Cl H13","","- C4 H25 B9 Cl N -","- C4 H25 B9 Cl N -","- C16 H100 B36 Cl4 N4 -","4","1","","Hamilton, E.J.M.; Meyers, E.A.; Liu, J.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535343","9.888","","13.393","","16.224","","90","","102.987","","90","","2093.59","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- Pb9 Rb4 -","- Pb9 Rb4 -","- Pb36 Rb16 -","4","1","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535346","9.843","","15.155","","15.289","","104.51","","97.63","","99.55","","2140.71","","","","","","","","","","","","","3","P 1","P 1","1","","","","- Cs10 K6 Pb36 -","- Cs10 K6 Pb36 -","- Cs10 K6 Pb36 -","1","1","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535349","7.267","","17.282","","11.074","","90","","90","","90","","1390.77","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Cs3 Na Pb4 -","- Cs3 Na Pb4 -","- Cs12 Na4 Pb16 -","4","0.25","","Bobev, S.; Sevov, S.C.","Isolated Deltahedral Clusters of Lead in the Solid State: Synthesis and Characterization of Rb4Pb9 and Cs10K6Pb36 with Pb94-, and A3A'Pb4 (A = Cs, Rb, K; A' = Na, Li) with Pb44-","Polyhedron","2002","21","","641","649","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535699","13.1402","","19.0642","","17.5666","","90","","90.274","","90","","4400.51","","","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","Cs4 K3 Na3 (Cd4 Cl2 (As W9 O34)2) (H2 O)20","","- As2 Cd4 Cl2 Cs4 H40 K3 Na3 O88 W18 -","- As2 Cd4 Cl2 Cs4 K3 Na3 O88 W18 -","- As4 Cd8 Cl4 Cs8 K6 Na6 O176 W36 -","2","0.5","","Hussain, F.; Bi, L.H.; Rauwald, U.; Reicke, M.; Kortz, U.","Structure and Solution Properties of the Cadmium(II)-Substituted Tungstoarsenate [Cd4 Cl2 (B-alpha-As W9 O34)2](12-)","Polyhedron","2005","24","","847","852","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536098","7.563","","8.533","","5.056","","90","","94.78","","90","","325.155","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Zn0.9875 Mn0.0125)2 (Zn0.275 Mn0.725) (P O4)2","","- Mn0.75 O8 P2 Zn2.25 -","- Mn0.75 O8 P2 Zn2.25 -","- Mn1.5 O16 P4 Zn4.5 -","2","0.5","","Nord, A.G.; Stefanidis, T.","Strong Zn2+/Mn2+ cation ordering among five- and sixcoordinated sites in gamma-(Zn.75 Mn.25)3 (P O4)2","Polyhedron","1982","1","","349","353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536574","20.7572","","20.7572","","20.7572","","90","","90","","90","","8943.47","","","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","K10 Na ((As W9 O34)2 (Y (H2 O))3 (C O3)) (H2 O)19","","- C H44 As2 K10 Na O93 W18 Y3 -","- C As2 K10 Na O93 W18 Y3 -","- C4 As8 K40 Na4 O372 W72 Y12 -","4","0.333333","","Khoshnavazi, R.; Moaser, A.G.; Salimi, A.","Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))","Polyhedron","2008","27","","1303","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536576","20.8529","","20.8529","","20.8529","","90","","90","","90","","9067.75","","","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","K10 Na ((As W9 O34)2 (Sm (H2 O))3 (C O3)) (H2 O)22","","- C H50 As2 K10 Na O96 Sm3 W18 -","- C As2 K10.01 Na O95.99 Sm3 W18 -","- C4 As8 K40.04 Na4 O383.96 Sm12 W72 -","4","0.333333","","Khoshnavazi, R.; Salimi, A.; Moaser, A.G.","Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))","Polyhedron","2008","27","","1303","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536589","11.1455","","11.1455","","17.552","","90","","90","","120","","1888.24","","","","","","","","","","","","","5","R 3 m :H","R 3 -2""","160","","((H3 O) (Te3 Cl13)) (S O2)0.5","","- Cl13 H3 O2 S0.5 Te3 -","- Cl13 H3 O1.999 S0.501 Te3 -","- Cl39 H9 O5.997 S1.503 Te9 -","3","0.166667","","Pietikainen, J.; Maaninen, A.; Valkonen, J.; Laitinen, R.S.; Oilunkaniemi, R.","Halogenation of tellurium by S O2 Cl2. Formation and crystal structures of (H3 O) (Te3 Cl13) * 0.5(S O2), ((C4 H8 O)2 H) (Te Cl5) * (C4 H8 O), ((Me2 S O)2 H)2 (Te Cl6) and (Ni (N C C H3)6) (Te2 Cl10)","Polyhedron","2002","21","","1089","1095","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537146","11.6368","","14.2113","","17.6343","","98.876","","105.682","","113.29","","2463.89","","","","","","","","","","","","","7","P -1","-P 1","2","","K Na9 (Mn4 (H2 O)2 (As W9 O34)2) (H2 O)35","","- As2 H74 K Mn4 Na9 O105 W18 -","- As2 Mn4 Na9 O105 W18 -","- As2 Mn4 Na9 O105 W18 -","1","0.5","","Rosu, C.; Crans, D.C.; Weakley, T.J.R.","Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)","Polyhedron","2002","21","","959","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537150","19.491","","19.491","","25.783","","90","","90","","90","","9794.94","","","","","","","","","","","","","6","I -4","I -4","82","","K Na27 (As4 W40 O140) (H2 O)56","","- As4 H112 K Na27 O196 W40 -","- As4 K Na26 O194 W40 -","- As8 K2 Na52 O388 W80 -","2","0.25","","Rosu, C.; Crans, D.C.; Weakley, T.J.R.","Rational synthesis and X-ray structure of (Mn(II)4 (H2 O)2 (As(V) W9 O34)2)(10-) from (As(III)4 W40 O140)(28-), (Mn O4)(-) and Mn(2+)","Polyhedron","2002","21","","959","962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537230","12.666","","12.666","","15.86","","90","","90","","120","","2203.5","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.23 Ir Cl12.23","","- Bi11.23 Cl12.23 Ir -","- Bi11.25 Cl12.235 Ir -","- Bi33.75 Cl36.705 Ir3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537233","12.612","","12.612","","15.917","","90","","90","","120","","2192.6","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.7 Rh Cl12.7","","- Bi11.7 Cl12.7 Rh -","- Bi11.694 Cl12.72 Rh -","- Bi35.082 Cl38.16 Rh3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537236","12.961","","12.961","","16.416","","90","","90","","120","","2388.22","","","","","","","","","","","","","3","R 3 :H","R 3","146","","Bi11.28 Rh Br12.28","","- Bi11.28 Br12.28 Rh -","- Bi11.28 Br12.285 Rh -","- Bi33.84 Br36.855 Rh3 -","3","0.333333","","Ruck, M.; Hampel, S.","Stabilization of homonuclear Bi5(+) and Bi6(2+) polycations by cluster anions in the crystal structures of Bi12-x Ir Cl13-x, Bi12-x Rh Cl13-x and Bi12-x Rh Br13-x","Polyhedron","2002","21","","651","656","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539670","11.745","","14.96","","10.831","","95.67","","116.19","","98.19","","1662.03","","","","","","","","","","","","","4","P -1","-P 1","2","","Nb2 (Se2)2 (Te I3)4","","- I12 Nb2 Se4 Te4 -","- I12 Nb2 Se4 Te4 -","- I24 Nb4 Se8 Te8 -","2","1","","Fedin, V.P.; Fedorov, V.E.; Imoto, H.; Daito, T.","Synthesis and structure of Nb2 (mue-Se2)2 (Te2 I6)2","Polyhedron","1997","16","","995","998","","","","","","","","","","","","","","","","","","","","","","has coordinates","168655","2020-10-21","18:00:00",""
"1540845","4.165","","4.165","","4.165","","90","","90","","90","","72.251","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","U O3","","- O3 U -","- O3 U -","- O3 U -","1","0.0208333","","Weller, M.T.; Penny, D.J.; Dickens, P.G.","The structure of delta - U O3","Polyhedron","1988","7","","243","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541035","7.685","","7.376","","10.468","","90","","104.16","","90","","575.345","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zn (H2 P O2)2 (H2 O)","","- H6 O5 P2 Zn -","- H6 O5 P2 Zn -","- H24 O20 P8 Zn4 -","4","1","","Tanner, P.A.; Mak, T.C.W.; Liu, Y.-L.","Synthesis, crystal structure and vibrational spectra of zinc hypophosphites","Polyhedron","1997","16","","495","505","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541518","10.811","","12.27","","10.776","","97.31","","119.36","","95.42","","1215.21","","","","","","","","","","","","","6","P -1","-P 1","2","","(Na (C H3 O H)5)2 (Br8 (Mo (C H3 O))6)","","- C16 H58 Br8 Mo6 Na2 O16 -","- C16 H58 Br8 Mo6 Na2 O16 -","- C16 H58 Br8 Mo6 Na2 O16 -","1","0.5","","Brnicevic, N.; Basic, I.; McCarley, R.E.; Hoxha, B.; Planinic, P.","Molybdenum and tungsten methoxo clusters with differently bonded methoxo groups. Crystal structure of (Na (C H3 O H)5)2 (Mo6 (mue3-Br)8 (O C H3)6)","Polyhedron","2003","22","","1553","1559","","","","","","","","","","","","","","","","","","","","","","has coordinates","172863","2020-10-21","18:00:00",""
"1541637","12.459","","12.504","","13.079","","109.2","","107.303","","108.937","","1623.12","","","","","","","","","","","","","7","P -1","-P 1","2","","K4 (Se4 (Re (C N)3)4) (H2 O)6","","- C12 H12 K4 N12 O6 Re4 Se4 -","- C12 K4 N12 O6 Re4 Se4 -","- C24 K8 N24 O12 Re8 Se8 -","2","1","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173012","2020-10-21","18:00:00",""
"1541686","10.7588","","10.7588","","18.6845","","90","","90","","90","","2162.76","","","","","","","","","","","","","7","P -4 21 c","P -4 2n","114","","((C Se (N H2)2)2 ((C H3)3 P)2 Au2) Cl2","","- C8 H26 Au2 Cl2 N4 P2 Se2 -","- C8 H26 Au2 Cl2 N4 P2 Se2 -","- C32 H104 Au8 Cl8 N16 P8 Se8 -","4","0.5","","Fettouhi, M.; Wazeer, M.I.M.; Ahmad, S.; Isab, A.A.","X-ray structure and (77)Se, (31)P and (13)C MAS NMR of the dinuclear complex 1,2-bis(selenourea)-1kappaSe,2kappaSe -1,2-bis(trimethylphosphine)digold(I) chloride","Polyhedron","2004","23","","1","4","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541713","10.624","","14.999","","19.013","","90","","90","","90","","3029.71","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Mn2 (Se4 (Re (C N)3)4) (H2 O)6","","- C12 H12 Mn2 N12 O6 Re4 Se4 -","- C12 Mn2 N12 O6 Re4 Se4 -","- C48 Mn8 N48 O24 Re16 Se16 -","4","0.25","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173156","2020-10-21","18:00:00",""
"1541714","10.684","","15.528","","19.118","","90","","90","","90","","3171.7","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Cd2 (Te4 (Re (C N)3)4) (H2 O)6","","- C12 H12 Cd2 N12 O6 Re4 Te4 -","- C12 Cd2 N12 O6 Re4 Te4 -","- C48 Cd8 N48 O24 Re16 Te16 -","4","0.25","","Mironov, Yu.V.; Sheldrick, W.S.; Virovets, A.V.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173158","2020-10-21","18:00:00",""
"1541715","10.19","","15.181","","18.953","","90","","90","","90","","2931.92","","","","","","","","","","","","","7","I m m a","-I 2b 2","74","","Cu2 (Te4 (Re (C N)3)4) (H2 O)4","","- C12 H8 Cu2 N12 O4 Re4 Te4 -","- C12 Cu2 N12 O4 Re4 Te4 -","- C48 Cu8 N48 O16 Re16 Te16 -","4","0.25","","Mironov, Yu.V.; Virovets, A.V.; Sheldrick, W.S.; Fedorov, V.E.","Novel inorganic polymeric compounds based on the Re4 chalcocyanide cluster complexes: synthesis and crystal structures of Mn2 (Re4 Se4 (C N)12) * 6(H2 O), Cd2 (Re4 Te4 (C N)12) * 6(H2 O), Cu2 (Re4 Te4 (C N)12) * 4(H2 O) and K4 Re4 Se4 (C N)12 * 6(H2 O)","Polyhedron","2001","20","","969","974","","","","","","","","","","","","","","","","","","","","","","has coordinates","173160","2020-10-21","18:00:00",""
"1541736","10.07","","11.603","","18.39","","90","","90","","90","","2148.73","","","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","(Cu (C (N H3)2 N (N H)2 N H2) Cl3) Cl (H2 O)","","- C H12 Cl4 Cu N6 O -","- C H12 Cl4 Cu N6 O -","- C8 H96 Cl32 Cu8 N48 O8 -","8","1","","Savel'eva, Z.A.; Romanenko, G.V.; Larionov, S.V.; Sheludyakova, L.A.","Synthesis and structure of a complex with the coordinated triaminoguanidinium(2+) ion, (Cu (TAG H2) Cl3) Cl . (H2 O)","Polyhedron","2000","19","","1737","1740","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542045","5.535","","10.661","","11.772","","90","","90","","90","","694.65","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(Ni (N H3)2) (V O3)2","","- H6 N2 Ni O6 V2 -","- H6 N2 Ni O6 V2 -","- H24 N8 Ni4 O24 V8 -","4","0.5","","Lin, B.-Z.; Liu, S.-X.","Hydrothermal syntheses, structures and magnetic properties of coordination cation metavanadates, Cu (tn)2 (V O3)2 and Ni (N H3)2 (V O3)2","Polyhedron","2000","19","","2521","2527","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1544271","11.3689","0.0017","16.701","0.002","17.007","0.003","90","","92.09","0.003","90","","3227","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Co N2 O4 -","- C40 H30 Co N2 O4 -","- C160 H120 Co4 N8 O16 -","4","1","","Maria Lalia-Kantouri; Christos D. Papadopoulos; Antonios G. Hatzidimitriou; Michael P. Sigalas; Miguel Quirós; Stavroula Skoulika","Different Geometries of Novel Cobalt(II) Compounds with 2-Hydroxy-benzophenones and Neocuproine: Crystal and Molecular Structures of [Co(2-hydroxy-benzophenone)~2~(neoc)], [Co(2-hydroxy-4-methoxybenzophenone)(neoc)Br] and [Co(neoc)Br~2~].CH~3~OH.H~2~O","Polyhedron","2013","52","","1306","1316","10.1016/j.poly.2012.06.012","","","0.71073","MoKα","","0.0733","0.055","","","0.1283","0.138","","","","","","1.037","","","","has coordinates,has Fobs","301779","2025-08-18","16:06:48",""
"1546427","9.1341","0.0006","13.5068","0.0009","16.573","0.0011","90","","90","","90","","2044.7","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H26 Mn N4 O6 S2 -","- C16 H26 Mn N4 O6 S2 -","- C64 H104 Mn4 N16 O24 S8 -","4","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0355","0.0266","","","0.0598","0.0637","","","","","","1.033","","","","has coordinates","198234","2020-10-21","18:00:00",""
"1546428","11.8868","0.0003","13.8324","0.0003","29.9847","0.0008","90","","90","","90","","4930.2","0.2","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H32 Mn N4 O9 S2 -","- C16 H32 Mn N4 O9 S2 -","- C128 H256 Mn8 N32 O72 S16 -","8","1","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0452","0.0302","","","0.0698","0.076","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546429","9.0094","0.0008","14.0378","0.0011","14.5823","0.0012","109.494","0.003","92.834","0.003","106.941","0.003","1640.9","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis(mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-tetrakis(1,3-diethyl- 2-thiobarbiturato-O)-decaaqua-trimanganese(II)","","- C48 H86 Mn3 N12 O22 S6 -","- C48 H86 Mn3 N12 O22 S6 -","- C48 H86 Mn3 N12 O22 S6 -","1","0.5","","Nicolay N. Golovnev; Maxim S. Molokeev; Irina V. Sterkhova; Maxim K. Lesnikov; Victor V. Atuchin","Coordination effects in hydrated manganese(II) 1,3-diethyl-2-thiobarbiturates and their thermal stability","Polyhedron","2017","134","0","120","125","10.1016/j.poly.2017.06.002","","","0.71073","MoKα","","0.0789","0.0464","","","0.1124","0.1265","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1549441","7.5244","0.0005","10.5204","0.0019","20.806","0.003","90","","95.374","0.011","90","","1639.8","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Mn N4 O7 -","- C14 H14 Mn N4 O7 -","- C56 H56 Mn4 N16 O28 -","4","1","","El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N.","XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]","Polyhedron","2010","29","5","1405","","10.1016/j.poly.2010.01.026","","x-ray","0.71073","MoKα","","0.0786","0.0528","","","0.1287","0.151","","","","","","1.13","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1549442","16.5442","0.0006","9.2953","0.0008","16.9886","0.0017","90","","114.337","0.007","90","","2380.4","0.4","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C22 H26 Mn N4 O8 -","- C22 H26 Mn N4 O8 -","- C88 H104 Mn4 N16 O32 -","4","1","","El-Azzouzi, Nabila; Hueso-Ureña, Francisco; Illán-Cabeza, Nuria A.; Moreno-Carretero, Miguel N.","XRD structure of two heptacoordinated Mn(II) complexes containing 2,9-dimethyl-1,10-phenanthroline (phen), nitrato and nicotinato bidentate anions: [Mn(phen)(nicot)(NO3)(H2O)]·EtOH·H2O and [Mn(phen)(NO3)2(H2O)]","Polyhedron","2010","29","5","1405","","10.1016/j.poly.2010.01.026","","x-ray","0.71073","MoKα","","0.0674","0.0434","","","0.1025","0.1164","","","","","","1.059","","","","has coordinates","301779","2025-08-18","16:07:24",""
"1559880","8.355","0.0004","10.408","0.0005","12.2948","0.0005","93.12","0.002","96.497","0.002","97.972","0.002","1049.33","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","(nitrato)-bis[6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine]-copper(ii) nitrate","","- C14 H14 Cu N16 O6 -","- C14 H14 Cu N16 O6 -","- C28 H28 Cu2 N32 O12 -","2","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam","Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production","Polyhedron","2020","180","","114412","","10.1016/j.poly.2020.114412","","x-ray","1.34139","GaKα","","0.0642","0.0623","","","0.1645","0.1677","","","","","","1.097","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1559881","7.9534","0.0003","10.3562","0.0004","14.6063","0.0006","100.637","0.002","104.771","0.002","97.685","0.002","1122.45","0.08","100","","100","","","","","","","","","5","P -1","-P 1","2","","(methanol)-(nitrato)-bis[6-(pyrazin-2-yl)-1,3,5-triazine-2,4-diamine]-nickel(ii) nitrate","","- C15 H18 N16 Ni O7 -","- C15 H18 N16 Ni O7 -","- C30 H36 N32 Ni2 O14 -","2","1","","Rajak, Sanil; Schott, Olivier; Kaur, Prabhjyot; Maris, Thierry; Hanan, Gary S.; Duong, Adam","Synthesis, crystal structure, characterization of pyrazine diaminotriazine based complexes and their systematic comparative study with pyridyl diaminotriazine based complexes for light-driven hydrogen production","Polyhedron","2020","180","","114412","","10.1016/j.poly.2020.114412","","x-ray","1.34139","GaKα","","0.0594","0.0478","","","0.1144","0.1243","","","","","","1.038","","","","has coordinates,has Fobs","301780","2025-08-18","21:43:41",""
"1566066","7.26","0.0005","7.8108","0.0005","18.1459","0.0013","90","","96.937","0.001","90","","1021.46","0.12","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N4 S -","- C10 H10 N4 S -","- C40 H40 N16 S4 -","4","1","","Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.","Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies","Polyhedron","2021","207","","115390","","10.1016/j.poly.2021.115390","","","0.71073","MoKα","","0.0562","0.0408","","","0.1068","0.1164","","","","","","1.037","","","","has coordinates","272158","2022-01-20","10:54:06",""
"1566067","9.3193","0.0005","11.5459","0.0006","12.0528","0.0008","83.801","0.003","67.752","0.002","82.678","0.003","1188.02","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Br2 Co N8 S2 -","- C20 H20 Br2 Co N8 S2 -","- C40 H40 Br4 Co2 N16 S4 -","2","1","","Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.","Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies","Polyhedron","2021","207","","115390","","10.1016/j.poly.2021.115390","","","0.71073","MoKα","","0.0444","0.0325","","","0.0633","0.0686","","","","","","1.069","","","","has coordinates","272158","2022-01-20","10:54:06",""
"1566068","9.1904","0.0003","11.3464","0.0004","12.1781","0.0004","83.817","0.002","68.057","0.001","81.985","0.002","1164.26","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl2 Co N8 S2 -","- C20 H20 Cl2 Co N8 S2 -","- C40 H40 Cl4 Co2 N16 S4 -","2","1","","Moreno-Alvero, M.; Luna-Giles, F.; Barros-García, F.J.; Viñuelas-Zahínos, E.; Fernández-Calderón, M.C.","Cobalt(II) complexes derived from a 2-aminobenzimidazole-thiazoline ligand: Synthesis, characterization, crystal structures and antimicrobial activity studies","Polyhedron","2021","207","","115390","","10.1016/j.poly.2021.115390","","","0.71073","MoKα","","0.0376","0.0298","","","0.0865","0.0918","","","","","","0.996","","","","has coordinates","272158","2022-01-20","10:54:06",""
"1566069","9.2477","0.0003","19.5475","0.0005","6.9631","0.0002","90","","111.311","0.003","90","","1172.65","0.06","293","","293","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Potassium [poly-bis(η2-peroxido)oxido-μ-(1-oxo-κO-pyridine-4-carboxylate-κO)]molybdate(VI) hydrate","","- C6 H4 K Mo N O9 -","- C6 H4 K Mo N O9 -","- C24 H16 K4 Mo4 N4 O36 -","4","1","","Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław","Synthesis, crystal structure and selected properties of two new peroxidomolybdates","Polyhedron","2020","183","","114530","","10.1016/j.poly.2020.114530","powder diffraction","x-ray","1.54187","CuKα","","0.0659","0.0644","","0.0784","0.0782","","","","3.59","","","","","","","has coordinates","272159","2022-01-20","12:56:30",""
"1566070","6.5619","0.0003","7.1063","0.0003","12.0469","0.0004","91.517","0.003","96.093","0.003","104.61","0.004","539.69","0.04","131","2","131","2","","","","","","","","5","P -1","-P 1","2","","Diammonium [tetrakis(η2-peroxido)dioxido-bis{μ-(1-oxo-κO-pyridine-4-carboxylate-κO)}dimolybdate(VI) dihydrate","","- C12 H20 Mo2 N4 O18 -","- C12 H20 Mo2 N4 O18 -","- C12 H20 Mo2 N4 O18 -","1","0.5","","Sławińska, Adrianna; Serda, Paweł; Oszajca, Marcin; Pamin, Katarzyna; Połtowicz, Jan; Łasocha, Wiesław","Synthesis, crystal structure and selected properties of two new peroxidomolybdates","Polyhedron","2020","183","","114530","","10.1016/j.poly.2020.114530","","","1.54184","CuKα","","0.0361","0.0356","","","0.1045","0.1051","","","","","","1.097","","","","has coordinates","272159","2022-01-20","12:56:33",""
"1570920","17.9683","0.0009","7.3231","0.0004","17.3899","0.0008","90","","91.123","0.002","90","","2287.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 Cl2 N3 Pt S -","- C8 H11 Cl2 N3 Pt S -","- C64 H88 Cl16 N24 Pt8 S8 -","8","2","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.0793","0.0597","","","0.14","0.15","","","","","","1.054","","","","has coordinates","289699","2024-02-05","16:22:40",""
"1570921","7.4526","0.0003","17.5917","0.0007","18.3383","0.0008","90","","90","","90","","2404.22","0.17","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H13 Cl2 N3 Pt S -","- C9 H13 Cl2 N3 Pt S -","- C72 H104 Cl16 N24 Pt8 S8 -","8","1","","Fernandez-Delgado, Elena Estirado, Samuel Rodriguez, Ana B. Vinuelas-Zahinos, Emilio Luna-Giles, Francisco Espino, Javier Pariente, Jose A.","Synthesis, characterization, crystal structures and cytotoxic activity of Pt(II) complexes with N,N-donor ligands in tumor cell lines","Polyhedron","2024","248","","116756","","10.1016/j.poly.2023.116756","","","0.71073","MoKα","","0.052","0.029","","","0.0499","0.0555","","","","","","1.027","","","","has coordinates","289700","2024-02-05","16:24:34",""
"5000399","10.66","0.008","16.048","0.015","8.225","0.005","91.49","0.05","105.33","0.04","72.87","0.05","1294.8","1.8","103.15","","103.15","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H38 B18 Br4 Co N -","- C12 H18 B18 Br4 Co N -","- C24 H36 B36 Br8 Co2 N2 -","2","1","","Santos, Erich C.; Pinkerton, Anthony B.; Kinkead, Scott A.; Hurlburt, Paul K.; Jasper, Steve A.; Sellers, Christopher W.; Huffman, John C.; Todd, Lee J.","Syntheses of nido-9,11-X~2~-7,8-C~2~B~9~H~10~- anions (X=Cl, Br or I) and the synthesis and structural characterization of N(C~2~H~5~)~4~[commo-3,3'-Co(4,7-Br~2~-3,1,2-CoC~2~B~9~H~9~)~2~]","Polyhedron","2000","19","15","1777","1781","10.1016/S0277-5387(00)00461-7","","","0.71069","MoKα","","","1.6022","","","","0.0482","","","","","","1.8596","","","","has coordinates,has disorder","176451","2020-10-21","18:00:00",""
"9013147","8.3346","","8.3346","","8.3346","","90","","90","","90","","578.968","","","","","","","","","","","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co Cr2 O4 -","- Co Cr2 O4 -","- Co8 Cr16 O32 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.00","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013148","8.3461","","8.3461","","8.3461","","90","","90","","90","","581.368","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.2 Cr1.7 O4 Sb0.1 -","- Co1.2 Cr1.7 O4 Sb0.1 -","- Co9.6 Cr13.6 O32 Sb0.8 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.10, Co1.2Cr1.7Sb.1O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013149","8.3783","","8.3783","","8.3783","","90","","90","","90","","588.122","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.4 Cr1.4 O4 Sb0.2 -","- Co1.4 Cr1.4 O4 Sb0.2 -","- Co11.2 Cr11.2 O32 Sb1.6 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.20, Co1.4Cr1.4Sb.2O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013150","8.4187","","8.4187","","8.4187","","90","","90","","90","","596.671","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.6 Cr1.1 O4 Sb0.3 -","- Co1.6 Cr1.1 O4 Sb0.3 -","- Co12.8 Cr8.8 O32 Sb2.4 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.30, Co1.6Cr1.1Sb.3O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013151","8.4577","","8.4577","","8.4577","","90","","90","","90","","605.002","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Cochromite","- Co1.8 Cr0.8 O4 Sb0.4 -","- Co1.8 Cr0.8 O4 Sb0.4 -","- Co14.4 Cr6.4 O32 Sb3.2 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.40, Co1.8Cr.8Sb.4O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013152","8.4909","","8.4909","","8.4909","","90","","90","","90","","612.155","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2 Cr0.5 O4 Sb0.5 -","- Co2 Cr0.5 O4 Sb0.5 -","- Co16 Cr4 O32 Sb4 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.50, Co2Cr.5Sb.5O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013153","8.5185","","8.5185","","8.5185","","90","","90","","90","","618.144","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2.2 Cr0.2 O4 Sb0.6 -","- Co2.2 Cr0.2 O4 Sb0.6 -","- Co17.6 Cr1.6 O32 Sb4.8 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 0.60, Co2.2Cr.2Sb.6O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013154","8.533","","8.533","","8.533","","90","","90","","90","","621.306","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Co2.333 O4 Sb0.667 -","- Co2.33334 O4 Sb0.66666 -","- Co18.6667 O32 Sb5.33328 -","8","0.0416667","","Garcia Casado, P.; Rasines, I.","Preparation and crystal data of the spinel series Co1+2sCr2-3sSb3O4 Sample: s = 2/3, Co2.333Sb.667O4","Polyhedron","1986","5","","787","789","10.1016/S0277-5387(00)84438-1","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""