# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-09T18:34:14+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 'Scientific Reports') AND volume = 2 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
"1548642","30.0315","0.0004","30.0315","0.0004","8.8752","0.0002","90","","90","","90","","8004.5","0.2","123.15","","123.15","","","","","","","","","5","I -4","I -4","82","","","","- C124 H230 N20 Ni4 O61 -","- C124 H156 N20 Ni4 O61 -","- C248 H312 N40 Ni8 O122 -","2","0.25","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.5418","CuKα","","0.0659","0.0655","","","0.1733","0.1744","","","","","","1.056","","","","has coordinates,has disorder","205022","2020-10-21","18:00:00",""
"1548643","18.6018","0.0005","20.4447","0.0004","23.3295","0.0005","102.63","0.002","108.244","0.002","109.763","0.002","7388.9","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C107 H244 F6 N23 Ni5 O63 P -","- C107 H154 F6 N23 Ni5 O34 P -","- C214 H308 F12 N46 Ni10 O68 P2 -","2","1","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.1277","0.1113","","","0.2298","0.2383","","","","","","1.098","","","","has coordinates,has disorder","205023","2020-10-21","18:00:00",""
"1548644","32.8793","0.0002","32.8793","0.0002","32.8793","0.0002","90","","90","","90","","35544.1","0.4","150","2","150","2","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C138 H255 Cl N28 Ni6 O59 -","- C138 H182.4 Cl N28 Ni6 O26.96 -","- C1104 H1459.2 Cl8 N224 Ni48 O215.68 -","8","0.0416667","","Long Jiang; Ping Ju; Xian-Rui Meng; Xiao-Jun Kuang; Tong-Bu Lu","Constructions of two polycatenanes and one polypseudo-rotaxane by discrete tetrahedral cages and stool-like building units","Scientific Reports","2012","2","","668","","10.1038/srep00668","","","1.54178","CuKα","","0.3382","0.2969","","","0.509","0.5163","","","","","","0.985","","","","has coordinates","205024","2020-10-21","18:00:00",""