# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-02T23:04:03+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 = 784 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
"1500009","10.2635","0.0018","9.048","0.0015","9.752","0.002","90","","104.493","0.012","90","","876.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H26 Co N7 O8 -","- C8 H26 Co N7 O8 -","- C16 H52 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0512","0.0408","","","0.1096","0.1184","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500010","6.1926","0.0007","18.248","0.003","6.2335","0.0006","90","","90.078","0.007","90","","704.41","0.16","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C4 H18 Co N7 O8 -","- C4 H18 Co N7 O8 -","- C8 H36 Co2 N14 O16 -","2","0.5","","Raj Pal Sharma; Bal Krishan Vermani; Rajni Sharma; Ritu Bala; Dip Singh Gill; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterization and X-ray structure determinations and packing of tetralkylammonium trans-diamminetetranitrocobaltate(III) complex salts where alkyl = methyl or ehtyl","Journal of Molecular Structure","2006","784","","222","227","10.1016/j.molstruc.2005.09.008","","","0.71073","MoKα","","0.0999","0.0868","","","0.2891","0.2981","","","","","","1.236","","","","has coordinates","301775","2025-08-18","14:01:15",""