# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-27T11:27:40+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 Coordination Chemistry') AND volume = 66 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
"1529220","8.418","0.0008","9.1422","0.0009","10.6741","0.0011","76.07","0.001","84.554","0.001","70.733","0.001","752.55","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Bis[(μ~2~-2-thiobarbiturato-O,S)-(2-thiobarbiturato-O)]-octaaqua-di-calcium","","- C16 H28 Ca2 N8 O16 S4 -","- C16 H28 Ca2 N8 O16 S4 -","- C16 H28 Ca2 N8 O16 S4 -","1","0.5","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.068","0.0405","","","0.0822","0.096","","","","","","1.036","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""
"1529221","12.9753","0.0008","7.2255","0.0005","16.4338","0.001","90","","94.883","0.001","90","","1535.13","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","catena-bis(2-thiobarbiturato-O,S)-tetraaqua-strontium","","- C8 H14 N4 O8 S2 Sr -","- C8 H14 N4 O8 S2 Sr -","- C32 H56 N16 O32 S8 Sr4 -","4","1","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.0567","0.0338","","","0.066","0.0729","","","","","","1.008","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529222","12.9805","0.0016","8.4004","0.001","17.069","0.002","90","","90","","90","","1861.2","0.4","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","Bis(2-thiobarbiturato-O)-pentaaqua-calcium dihydrate","","- C8 H20 Ca N4 O11 S2 -","- C8 H20 Ca N4 O11 S2 -","- C32 H80 Ca4 N16 O44 S8 -","4","0.5","","Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Calcium and strontium thiobarbiturates with discrete and polymeric structures","Journal of Coordination Chemistry","2013","66","23","4119","","10.1080/00958972.2013.860450","","","0.71073","MoKα","","0.0396","0.0312","","","0.0807","0.0863","","","","","","1.063","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""