# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-29T23:47:43+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 = 54 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
"1519107","12.5435","0.0003","12.1544","0.0003","18.808","0.0004","90","","93.44","0.002","90","","2862.28","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H50 Na6 O66 Sr2 W12 -","- Na6 O66 Sr2 W12 -","- Na12 O132 Sr4 W24 -","2","0.5","","Sergii V. Radio; Nadija I. Gumerova; Vyacheslav N. Baumer","Crystal Structure of Sodium-Strontium Paratungstate B, Na6Sr2[W12O40(OH)2].24H2O.","Journal of Structural Chemistry","2013","54","","97","103","","","","0.71073","MoKα","","0.0469","0.0274","","","","0.0446","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1529217","17.1262","0.0019","10.3435","0.0011","17.2582","0.0019","90","","119.203","0.001","90","","2668.6","0.5","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Enrofloxacinium tetrabromo-dichloro-tin(IV) monohydrate","","","- C19 H26 Br3.46 Cl2.54 F N3 O4 Sn -","- C19 H24 Br3.457 Cl2.543 F N3 O4 Sn -","- C76 H96 Br13.828 Cl10.172 F4 N12 O16 Sn4 -","4","1","","N.N. Golovnev; M.S. Molokeev; I.I. Golovneva; G.A. Gluschenko","Crystal structure of enrofloxacinium tetrabromidodichloridostannate(IV) monohydrate","Journal of Structural Chemistry","2013","54","2","377","","10.1134/S0022476613020157","","","0.71073","MoKα","","0.1247","0.0513","","","0.0844","0.1036","","","","","","1.009","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529223","11.2317","0.0017","3.8687","0.0006","14.557","0.002","90","","97.448","0.004","90","","627.2","0.16","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Potassium 2-thiobarbiturate","","","- C4 H3 K N2 O2 S -","- C4 H3 K N2 O2 S -","- C16 H12 K4 N8 O8 S4 -","4","1","","N.N. Golovnev; M.S. Molokeev; M.Yu. Belash","Crystal structure of potassium 2-thiobarbiturate","Journal of Structural Chemistry","2013","54","3","566","","10.1134/S0022476613030141","","","0.71073","MoKα","","0.0813","0.0402","","","0.0791","0.0939","","","","","","1.002","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529224","6.59722","0.00013","9.8917","0.0002","10.08927","0.00019","106.702","0.0012","93.3951","0.0015","107.481","0.0013","593.82","0.02","300","","300","","","","","","","","","6","P -1","-P 1","2","","","C8 H6 N4 O5 Pb S2","- C8 H6 N4 O5 Pb S2 -","- C8 H6 N4 O5 Pb S2 -","- C16 H12 N8 O10 Pb2 S4 -","2","1","","Golovnev, Nikolay; Molokeev, Maxim","Crystal structure of catena-DI(2-thiobarbiturato-O,S)aqualead(II)","Journal of Structural Chemistry","2013","54","5","968","","10.1134/S0022476613050193","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.54","","","","2.263","","","","has coordinates","176429","2020-10-21","18:00:00",""