# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T04:10:58+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 Structural Chemistry') AND volume = 55 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
"1529218","6.87295","0.00014","16.66399","0.00021","11.85043","0.00017","90","","90","","90","","1357.24","0.04","300","","300","","","","","","","","","6","P n m a","-P 2ac 2n","62","","catena-bis(2-thiobarbiturato)-diaqua-barium","","- C8 H6 Ba N4 O6 S2 -","- C8 H10 Ba N4 O6 S2 -","- C32 H40 Ba4 N16 O24 S8 -","4","0.5","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structures of two barium 2-thiobarbiturate complexes","Journal of Structural Chemistry","2014","55","5","871","","10.1134/S0022476614050114","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.096","3.881","","","","","","","has coordinates,has Fobs","294957","2024-10-01","15:19:48",""
"1529219","9.1339","0.0013","9.8527","0.0014","10.0198","0.0014","103.674","0.002","99.491","0.002","101.683","0.002","836.3","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","catena-(μ~4~-2-thiobarbiturato-O,O,O',S)-(2-thiobarbiturato-O)- (μ~2~-aqua)-diaqua-barium","","- C8 H16 Ba N4 O9 S2 -","- C8 H16 Ba N4 O9 S2 -","- C16 H32 Ba2 N8 O18 S4 -","2","1","","Golovnev, Nicolay; Molokeev, Maxim","Crystal structures of two barium 2-thiobarbiturate complexes","Journal of Structural Chemistry","2014","55","5","871","","10.1134/S0022476614050114","","","0.71073","MoKα","","0.0727","0.0453","","","0.0799","0.0943","","","","","","0.999","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529225","15.10391","0.00027","12.80183","0.0002","3.864549","0.000057","90","","97.2028","0.0014","90","","741.34","0.02","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","C4 H2 N2 O2 S Tl2","- C4 H2 N2 O2 S Tl2 -","- C4 H2 N2 O2 S Tl2 -","- C16 H8 N8 O8 S4 Tl8 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structure of catena-(2-thiobarbiturato) dithallium(I)","Journal of Structural Chemistry","2014","55","1","125","","10.1134/S002247661401020X","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.379","","","","2.097","","","","has coordinates","176429","2020-10-21","18:00:00",""