# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T18:22:38+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 = 69 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
"1542917","9.3535","0.0004","13.8812","0.0007","16.9106","0.0008","90","","90","","90","","2195.64","0.18","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-calcium","","- C16 H26 Ca N4 O6 S2 -","- C16 H26 Ca N4 O6 S2 -","- C64 H104 Ca4 N16 O24 S8 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0372","0.0295","","","0.081","0.0875","","","","","","1.011","","","","has coordinates,has Fobs","178987","2020-10-21","18:00:00",""
"1542918","9.529","0.0018","14.161","0.003","17.094","0.003","90","","90","","90","","2306.7","0.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Catena-bis (mu~2~-1,3-diethyl-2-thiobarbiturato-O,O')-diaqua-strontium","","- C16 H26 N4 O6 S2 Sr -","- C16 H26 N4 O6 S2 Sr -","- C64 H104 N16 O24 S8 Sr4 -","4","0.5","","N. Golovnev; M. Molokeev; A. Samoilo; V. Atuchin","Influence of alkyl substituents in 1,3-diethyl-2-thiobarbituric acid on the coordination environment in M(H2O)2(1,3-diethyl-2-thiobarbiturate)2 M = Ca2+, Sr2+","Journal of Coordination Chemistry","2016","69","6","957","965","10.1080/00958972.2016.1149168","","","0.71073","MoKα","","0.0663","0.0322","","","0.0711","0.0845","","","","","","0.996","","","","has coordinates,has Fobs","178988","2020-10-21","18:00:00",""
"1544281","10.4177","0.001","10.9492","0.0008","13.6822","0.0011","90","","110.206","0.002","90","","1464.6","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","catena-(mu~4~-2-Thiobarbiturato-O,O',S,S)- (mu~2~-2-Thiobarbiturato-S,S)-tris(mu~2~-aqua)-di-sodium","","- C4 H6 N2 Na O3.5 S -","- C4 H6 N2 Na O3.5 S -","- C32 H48 N16 Na8 O28 S8 -","8","2","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko","Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2016","69","21","3219","3230","10.1080/00958972.2016.1228914","","","0.71073","MoKα","","0.0322","0.0263","","","0.069","0.0724","","","","","","1.051","","","","has coordinates,has Fobs","282761","2023-04-20","06:45:59",""
"1544282","6.7075","0.0006","11.0451","0.001","20.4865","0.0017","90","","90","","90","","1517.7","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","catena-(mu~4~-2-Thiobarbiturato-O,O',S,S)- (2-Thiobarbiturato-S)-tris(mu~2~-aqua)-aqua-di-sodium","","- C4 H7 N2 Na O4 S -","- C4 H7 N2 Na O4 S -","- C32 H56 N16 Na8 O32 S8 -","8","2","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; V.V. Atuchin; M.Y. Sidorenko","Hydrated pseudo-polymorphs [Na2(H2O)x](2-thiobarbiturate)2 (x = 3, 4, 5): crystal structure, spectroscopic and thermal properties","Journal of Coordination Chemistry","2016","69","21","3219","3230","10.1080/00958972.2016.1228914","","","0.71073","MoKα","","0.1074","0.0592","","","0.1091","0.1262","","","","","","0.916","","","","has coordinates,has Fobs","282761","2023-04-20","06:46:01",""