# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-17T13:42:22+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 'Canadian Journal of Chemistry') AND volume = 62 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
"1530347","5.445","","7.346","","9.473","","85.89","","83.92","","82.13","","372.601","","","","","","","","","","","","","5","P 1","P 1","1","","S3 N2 N H2 B F4","","- B F4 H2 N3 S3 -","- B F4 H2 N3 S3 -","- B F4 H2 N3 S3 -","1","1","","Marcellus, C.G.; Oakley, R.T.; Cordes, A.W.; Pennington, W.T.","The preparation and the crystal and molecular structure of (S3 N2 N H2)(+) (B F4)(-); a molecular orbital study of the protonation of the trisulphur trinitride anion","Canadian Journal of Chemistry","1984","62","","1822","1827","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000122","25.459","0.001","11.282","0.001","10.768","0.001","90","","95.16","0.01","90","","3080.34","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H12.32 N5 O3.66 -","- C8 H12.3333 N5 O3.66667 -","- C96 H148 N60 O44 -","12","3","","Birnbaum, George I.; Cygler, Miroslaw; Shugar, David","Conformational features of acyclonucleosides: structure of acyclovir, an antiherpes agent","Canadian Journal of Chemistry","1984","62","12","2646","2652","10.1139/v84-449","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""