# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T04:10:08+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 Structural Chemistry') AND volume = 45 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
"1529384","7.272","0.001","8.643","0.001","10.427","0.001","90","","93.2","0.01","90","","654.33","0.13","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C H N8 O2 -","- C H8 N8 O2 -","- C4 H32 N32 O8 -","4","1","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; A.M. Sirotinin; L.A. Kruglyakova; R.S. Stepanov","Crystal and Molecular Structure of Nitramino Derivatives of Tetrazole and 1,2,4-Triazole. II. 5-Nitraminotetrazole Diammonium Salt","Journal of Structural Chemistry","2004","45","1","175","180","10.1023/B:JORY.0000041520.90323.fe","","","1.5406","","","0.0456","0.0379","","","0.1006","0.1066","","","","","","1.032","","","","has coordinates,has Fobs","153314","2020-10-21","18:00:00",""
"1529385","8.3789","0.0005","10.1872","0.0006","6.6709","0.0005","90","","106.629","0.006","90","","545.6","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H3 Li N6 O3 -","- C H3 Li N6 O3 -","- C4 H12 Li4 N24 O12 -","4","1","","A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; A.M. Sirotinin; R.S. Stepanov","Crystal and molecular structure of the nitramino derivatives of tetrazole and 1,2,4-triazole. III. 5-nitraminotetrazole lithium salt monohydrate","Journal of Structural Chemistry","2004","45","2","360","364","10.1023/B:JORY.0000048894.84780.cd","","","1.54056","","","0.0324","0.0296","","","0.0796","0.0814","","","","","","1.038","","","","has coordinates,has Fobs","153315","2020-10-21","18:00:00",""
"1529386","11.116","0.001","18.075","0.002","6.559","0.0007","90","","90","","90","","1317.8","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 N5 O4 -","- C2 H6 N5 O4 -","- C16 H48 N40 O32 -","8","1","","A.D. Vasiliev; A.M. Astakhov; M.S. Molokeev; L.A. Kruglyakova; R.S. Stepanov","Crystal and molecular structure of 1-methyl-1,2-dinitroguanidine","Journal of Structural Chemistry","2004","45","3","532","536","10.1007/s10947-005-0025-6","","","1.5406","","","0.0726","0.0502","","","0.1401","0.1556","","","","","","0.986","","","","has coordinates,has Fobs","153316","2020-10-21","18:00:00",""
"1529387","3.551","0.001","21.834","0.004","9.075","0.002","90","","110.68","0.03","90","","658.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H8 F N4 O2 -","- C2 H4 F N6 O3 -","- C8 H16 F4 N24 O12 -","4","1","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; L.A. Kruglyakova; A.M. Sirotinin; R.S. Stepanov","Crystal and molecular structure of nitraminotetrazole and nitramino-1,2,4-triazole. IV. 5-nitraminotetrazole sodium salt sesquihydrate","Journal of Structural Chemistry","2004","45","3","537","540","10.1007/s10947-005-0026-5","","","1.5406","","","0.0634","0.0618","","","0.1767","0.179","","","","","","0.847","","","","has coordinates,has Fobs","153317","2020-10-21","18:00:00",""