# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-25T09:12:45+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 = 31 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
"1531146","19.765","","7.54","","8.384","","90","","98.87","","90","","1234.51","","","","","","","","","","","","","6","P 1 2/m 1","-P 2y","10","","Sr (Fe (C N)5 (N O)) (H2 O)4","","- C5 H8 Fe N6 O5 Sr -","- C5 H8 Fe N6 O5 Sr -","- C20 H32 Fe4 N24 O20 Sr4 -","4","1","","Chevrier, G.; Navaza, A.; Aymonino, P. J.; Kiat, J. M.; Zuriaga, M. J.; Martin, C. A.; Monti, G. A.; Güida, J. A.; Lanzelotti, P. L.","Low temperature phases of strontium nitroprusside tetrahydrate (Sr(Fe(CN)~5~NO) * 4(H~2~O)). Refinement of the neutron structure at 60 K","Journal of Chemical Crystallography","2001","31","11-12","491","500","10.1023/A:1015707632369","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531352","11.418","","6.447","","5.27","","90","","90","","90","","387.934","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Na Ho (Ge O4)","","- Ge Ho Na O4 -","- Ge Ho Na O4 -","- Ge4 Ho4 Na4 O16 -","4","0.5","","Emirdag-Eanes, M.; Krawiec, M.; Kolis, J. W.","Hydrothermal synthesis and structural characterization of NaLnGeO~4~ (Ln = Ho, Er, Tb, Tm, Yb, Lu) family of lanthanide germanates","Journal of Chemical Crystallography","2002","31","5","281","285","10.1023/A:1014378729117","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532314","16.308","","16.308","","15.418","","90","","90","","90","","4100.43","","","","","","","","","","","","","6","I 4/m","-I 4","87","","Na16 (Fe (C N)5 C O)4 (Fe (C N)6) (H2 O)32","","- C30 H64 Fe5 N26 Na16 O36 -","- C30 Fe5 N26 Na16 O36 -","- C60 Fe10 N52 Na32 O72 -","2","0.125","","Soria, D. B.; Piro, O. E.; Varetti, E. L.; Aymonino, P. J.","X-ray diffraction and DFT structures of the pentacyanocarbonylferrate(3-) ion","Journal of Chemical Crystallography","2001","31","11-12","471","477","10.1023/A:1015659014622","","","","","","","","","","","","","","","","","","","","","has coordinates","174914","2020-10-21","18:00:00",""