# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-22T00:35:16+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 Chemical Crystallography') AND volume = 34 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
"1100152","19.666","0.002","11.7586","0.0008","13.4808","0.0009","90","","103.69","0.008","90","","3028.8","0.5","295","1","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","bis(2,2'-biimidazole)copper(II) perchlorate bis(4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","","- C22 H20 Cl2 Cu N16 O10 -","- C22 H20 Cl2 Cu N16 O10 -","- C88 H80 Cl8 Cu4 N64 O40 -","4","0.5","","Mohammad Abul-Haj; Miguel Quiros; Juan M. Salas","Structure of the adduct of bis(2,2'biimidazole)copper(II) perchlorate with 4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-7-one","Journal of Chemical Crystallography","2004","34","8","549","552","10.1023/B:JOCC.0000042024.70444.a0","","","0.71073","MoKα","","0.1388","0.0806","","","0.1905","0.2456","","","","","","1.025","","","","has coordinates,has disorder","301773","2025-08-18","12:42:41",""
"1535265","6.438","","10.515","","13.166","","90","","90","","90","","891.28","","","","","","","","","","","","","5","I m m a (c,a,b)","-I 2b 2 (z,x,y)","74","","Na1.28 Ni0.86 Fe2 (P O4)3","","- Fe2 Na1.28 Ni0.86 O12 P3 -","- Fe2 Na1.277 Ni0.8615 O12 P3 -","- Fe8 Na5.108 Ni3.446 O48 P12 -","4","","","Hidouri, M.; Lajmi, B.; Driss, A.; Ben Amara, M.","Synthesis and crystal structure of Na~1.28~Ni~0.86~Fe~2~(PO~4~)~3~","Journal of Chemical Crystallography","2004","34","10","669","672","10.1023/B:JOCC.0000047641.37337.db","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535882","5.6065","","5.6065","","13.642","","90","","90","","120","","371.358","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","K3 Sc Si2 O7","","- K3 O7 Sc Si2 -","- K3 O7 Sc Si2 -","- K6 O14 Sc2 Si4 -","2","0.0833333","","Napper, J. D.; Layland, R. C.; Smith, M. D.; zur Loye, H. C.","Crystal Growth and Structure Determination of the New Silicate K~3~ScSi~2~O~7~","Journal of Chemical Crystallography","2004","34","6","347","351","10.1023/B:JOCC.0000028666.53348.fc","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""