# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T11:56:29+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 = 98 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
"1529239","4.5236","0.0009","14.739","0.003","16.937","0.004","90","","90","","90","","1129.2","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-cesium","","- C8 H11 Cs N2 O2 S -","- C8 H11 Cs N2 O2 S -","- C32 H44 Cs4 N8 O8 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0318","0.0233","","","0.0428","0.0453","","","","","","1.008","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""
"1529240","8.472","0.002","8.853","0.004","8.964","0.002","98.436","0.004","116.059","0.003","109.916","0.004","531.8","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","ammonium 1,3-diethyl-2-thiobarbiturate","","- C8 H15 N3 O2 S -","- C8 H15 N3 O2 S -","- C16 H30 N6 O4 S2 -","2","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0502","0.039","","","0.1071","0.1156","","","","","","1.045","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""
"1529241","4.373","0.0009","14.789","0.003","16.923","0.003","90","","90","","90","","1094.4","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-rubidium","","- C8 H11 N2 O2 Rb S -","- C8 H11 N2 O2 Rb S -","- C32 H44 N8 O8 Rb4 S4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0509","0.0343","","","0.0588","0.0629","","","","","","1.001","","","","has coordinates,has Fobs","176428","2020-10-21","18:00:00",""
"1529242","4.3767","0.0004","14.7003","0.0014","16.6064","0.0016","90","","90","","90","","1068.44","0.17","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Catena-(mu~6~-1,3-diethyl-2-thiobarbiturato-O,O,O'O',S,S)-thallium","","- C8 H11 N2 O2 S Tl -","- C8 H11 N2 O2 S Tl -","- C32 H44 N8 O8 S4 Tl4 -","4","1","","Molokeev, Maxim; Golovnev, Nikolay; Vereshchagin, Sergey; Atuchin, Victor","Crystal structure, spectroscopic and thermal properties of the 1,3-diethyl-2-thiobarbiturate of Rb+, Cs+, Tl+ and NH4+ complexes","Polyhedron","2015","98","0","113","","10.1016/j.poly.2015.05.048","","","0.71073","MoKα","","0.0342","0.0263","","","0.0436","0.0455","","","","","","0.999","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""