# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T19:42:12+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 'Journal of Organometallic Chemistry') AND volume = 622 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
"4025917","13.609","0.0004","13.59","0.0002","14.537","0.0004","90","","116.394","0.001","90","","2408.3","0.11","210","","210","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H36 I4 N8 O12 U2 -","- C44 H36 Cu2 I4 N8 O12 -","- C88 H72 Cu4 I8 N16 O24 -","2","0.5","","Fedor Valach; Miroslav Tokarčík; Thierry Maris; David J. Watkin; Keith Prout","Bond-valence approach to the copper-copper and copper-nitrogen bonding in binuclear copper(II) complexes: Structure of tetrakis(2-iodobenzoato)bis(caffeine)dicopper(II) at 210 K","Journal of Organometallic Chemistry","2001","622","","166","171","10.1016/S0022-328X(00)00888-3","","","0.7107","MOKA","","","0.0533","","","","0.0389","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""