# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-26T18:37:02+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Polyhedron') AND volume = 19 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
"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",""
"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",""
"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",""
"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",""