# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T03:16:41+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 = 46 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
"1529412","13.491","0.001","11.0459","0.0007","16.299","0.001","90","","111.392","0.007","90","","2261.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl4 Cu F N3 O4 -","- C17 H22 Cl4 Cu F N3 O4 -","- C68 H88 Cl16 Cu4 F4 N12 O16 -","4","1","","A.D. Vasilev; N.N. Golovnev; M.S. Molokeev; T.D. Churilov","Preparation and crystal structure of hydrated crystalline complex of ciprofloxacin and copper tetrachloride","Journal of Structural Chemistry","2005","46","2","363","370","10.1007/s10947-006-0055-8","","","1.54056","","","0.0469","0.0349","","","0.0918","0.0973","","","","","","1.012","","","","has coordinates,has Fobs","288183","2023-12-08","14:40:33",""
"1529413","6.541","0.002","19.157","0.004","10.726","0.002","90","","96.24","0.02","90","","1336.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 N7 O2 -","- C2 H7 N7 O2 -","- C16 H56 N56 O16 -","8","2","","A.M. Astakhov; A.D. Vasiliev; M.S. Molokeev; A.M. Sirotinin; R.S. Stepanov","Crystal and molecular structure of nitraminotetrazoles and nitramino-1,2,4-triazoles. V. 5-nitraminotetrazole methylammonium salt","Journal of Structural Chemistry","2005","46","3","517","522","10.1007/s10947-006-0132-z","","","1.54178","CuKα","","0.0442","0.04","","","0.0997","0.1016","","","","","","1.019","","","","has coordinates,has Fobs","188564","2020-10-21","18:00:00",""