# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T18:14:27+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 'Journal of Coordination Chemistry') AND volume = 68 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
"1529234","8.5939","0.0002","22.9953","0.0005","10.1832","0.0002","90","","112.838","0.001","90","","1854.64","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Catena-Bis(mu~2~-2-thiobarbiturato-O,O')-(mu~3~-acetato-O,O,O')- diaqua-neodymium(III) dihydrate","","- C10 H17 N4 Nd O10 S2 -","- C10 H17 N4 Nd O10 S2 -","- C40 H68 N16 Nd4 O40 S8 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4","Journal of Coordination Chemistry","2015","68","11","1865","","10.1080/00958972.2015.1031119","","","0.71073","MoKα","","0.0201","0.0181","","","0.0488","0.0498","","","","","","1.044","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529235","4.11991","0.00035","4.22332","0.00038","13.349","0.0012","90","","90","","90","","232.27","0.04","300","","300","","","","","","","","","3","I 2 2 2","I 2 2","23","","Bis(oxoneodymium) Sulfate(VI)","","- Nd2 O6 S -","- Nd2 O6 S -","- Nd4 O12 S2 -","2","0.25","","Golovnev, Nikolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor","Synthesis and thermal transformation of a neodymium(III) complex [Nd(HTBA)2(C2H3O2)(H2O)2].2H2O to noncentrosymmetric oxosulfate Nd2O2SO4","Journal of Coordination Chemistry","2015","68","11","1865","","10.1080/00958972.2015.1031119","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.46","1.207","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""