# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T02:19:02+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 volume = 20 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",""
"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",""
"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",""
"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",""
"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",""