# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T11:48:27+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 = 85 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
"1529231","4.2541","0.0006","14.739","0.002","16.635","0.003","90","","90","","90","","1043","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-thiobarbiturato-O,O,O' O',S,S)potassium","","- C8 H11 K N2 O2 S -","- C8 H11 K N2 O2 S -","- C32 H44 K4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.0476","0.0321","","","0.058","0.0642","","","","","","1.03","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529232","10.5339","0.0018","7.6036","0.0013","14.186","0.002","90","","108.964","0.004","90","","1074.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-(mu~4~-thiobarbiturato-O,O,O',S)sodium","","- C8 H11 N2 Na O2 S -","- C8 H11 N2 Na O2 S -","- C32 H44 N8 Na4 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.114","0.0463","","","0.1077","0.1317","","","","","","1.024","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529233","10.6778","0.0013","7.2687","0.0009","13.2021","0.0016","90","","108.841","0.002","90","","969.8","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-(mu~4~-thiobarbiturato-O,O,O',S)lithium","","- C8 H11 Li N2 O2 S -","- C8 H11 Li N2 O2 S -","- C32 H44 Li4 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Sterkhova, Irina; Atuchin, Victor","The cis-trans isomer transformation, spectroscopic and thermal properties of Li, Na, K 1,3-diethyl-2-thiobarbiturate complexes","Polyhedron","2015","85","0","493","","10.1016/j.poly.2014.09.011","","","0.71073","MoKα","","0.0939","0.0462","","","0.0945","0.1103","","","","","","1.015","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""