# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-05T19:45:13+02:00
# 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 Molecular Structure') AND volume = 656 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
"1532894","15.106","","8.782","","14.3358","","90","","90","","90","","1901.8","","","","","","","","","","","","","6","C m c 21","C 2c -2","36","","K5 (S (S3) (Mo F3) (Mo F2 (F H F))2) (H2 O)2","","- F11 H6 K5 Mo3 O2 S4 -","- F11 H2 K5 Mo3 O2 S4 -","- F44 H8 K20 Mo12 O8 S16 -","4","0.5","","Mironov, Yu.V.; Yarovoi, S.S.; Solodovnikov, S.F.; Fedorov, V.E.","Coordinated bifluoride ions in the first thiofluoride molybdenum triangular cluster complex: synthesis and crystal structure of K5 (Mo3 S4 F7 (F H F)2) * 2(H2 O)","Journal of Molecular Structure","2003","656","","195","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534429","12.89","","14.01","","27.138","","79.881","","79.571","","65.93","","4372.35","","","","","","","","","","","","","5","P -1","-P 1","2","","Na14 (Zr4 O2 (O H)2 (H2 O)4) (P2 W16 O59)2 (H2 O)57","","- Na4 O183 P4 W32 Zr4 -","- H124 Na4 O183 P4 W32 Zr4 -","- H124 Na4 O183 P4 W32 Zr4 -","1","0.5","","Gaunt, A. J.; May, I.; Collison, D.; Pope, M. T.; Holman, K. T.","Polyoxometal cations within polyoxometalate anions. Seven-coordinate uranium and zirconium heteroatom groups in ((U O~2~)~12~(μ~3~-O)4(μ~2~-H~2~ O)~12~(P~2~ W~15~ O~56~)~4~)^32-^ and (Zr~4~(μ~3~-O)~2~(μ~2~-O H)~2~(H~2~ O)~4~(P~2~ W~16~ O~59~)~2~)^14-^","Journal of Molecular Structure","2003","656","","101","106","10.1016/S0022-2860(03)00272-2","","","","","","","","","","","","","","","","","","","","","has coordinates","189242","2020-10-21","18:00:00",""
"1534432","40.355","","43.385","","28.573","","90","","134.622","","90","","35606.1","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na32 ((U O2)12 O4 (H2 O)12) (P2 W15 O56)4 (H2 O)77","","- O341 P8 U12 W60 -","- H178 O341 P8 U12 W60 -","- H712 O1364 P32 U48 W240 -","4","0.5","","Gaunt, A. J.; May, I.; Collison, D.; Holman, K. T.; Pope, M. T.","Polyoxometal cations within polyoxometalate anions. Seven-coordinate uranium and zirconium heteroatom groups in ((U O~2~)~12~(μ~3~-O)4(μ~2~-H~2~ O)~12~(P~2~ W~15~ O~56~)~4~)^32-^ and (Zr~4~(μ~3~-O)~2~(μ~2~-O H)~2~(H~2~ O)~4~(P~2~ W~16~ O~59~)~2~)^14-^","Journal of Molecular Structure","2003","656","","101","106","10.1016/S0022-2860(03)00272-2","","","","","","","","","","","","","","","","","","","","","has coordinates","189242","2020-10-21","18:00:00",""