# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-22T11:16:24+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 volume = 23 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
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","211332","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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","176729","2020-10-21","18:00:00",""
"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",""
"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",""
"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","173102","2020-10-21","18:00:00",""