# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T10:25:31+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 = 30 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
"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",""
"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",""