# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-24T08:43:48+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 'Acta Crystallographica, Section C: Crystal Structure Communications') AND volume = 53 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
"2005901","11.428","0.003","11.171","0.003","11.956","0.003","90","","106.86","0.02","90","","1460.7","0.7","294","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- H34 Mo6 N4 O30 Zn -","- H34 Mo6 N4 O30 Zn -","- H68 Mo12 N8 O60 Zn2 -","2","0.5","","Allen, C. C.; Burns, R. C.; Lawrance, G. A.; Turner, P.; Hambley, T. W.","Tetraammonium Hexahydrogenhexamolybdozincate(II) Hexahydrate","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","1","7","9","10.1107/s0108270196011043","","","","","","","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:28",""
"2006197","9.3218","0.0007","9.5837","0.0005","15.5376","0.0008","94.431","0.01","101.179","0.011","99.73","0.01","1333.44","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H26 Cl Fe N2 O4 -","- C32 H26 Cl Fe N2 O4 -","- C64 H52 Cl2 Fe2 N4 O8 -","2","1","CF1079","Elerman, Yalçın; Kabak, Mehmet; Ülkü, Dinçer","A Five-Coordinated Monomer of Chloro[<i>N</i>,<i>N</i>'-(di-2-hydroxy-1-naphthylidene)-1,2-diaminobenzene]iron(III)","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","6","712","714","10.1107/S0108270197000607","","","0.71073","MoKα","","0.072","0.067","","0.165","0.16","","","","1.143","1.15","1.15","","","","","has coordinates","291315","2024-04-22","13:30:51",""
"2006468","12.7982","0.0009","6.3937","0.0007","10.5853","0.0009","90","","90","","90","","866.2","0.1","110","3","110","3","","","","","","","","4","P n a 21","P 2c -2n","33","Potassium titanyl phosphate","Potassium oxotitanium phosphate(V)","","- K O5 P Ti -","- K O5 P Ti -","- K8 O40 P8 Ti8 -","8","2","DU1171","Dahaoui, Slimane; Hansen, Niels K.; Menaert, Bertrand","NaTiOPO~4~ and KTiOPO~4~ at 110 K","Acta Crystallographica, Section C: Crystal Structure Communications","1997","53","9","1173","1176","10.1107/s0108270197004265","","","0.56087","AgKα","","0.0123","0.0123","","","0.0119","","","","","1","1","","","","","has coordinates,has Fobs","180689","2020-10-21","18:00:00",""