# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T15:18:12+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 Coordination Chemistry') AND volume = 65 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
"1513064","6.444","0.003","7.527","0.003","17.57","0.008","90.391","0.014","99.196","0.014","97.017","0.014","834.7","0.6","198","2","198","2","","","","","","","","6","P -1","-P 1","2","potassium violurate methanol solvate","","","- C10 H12 K N6 O10 S0 -","- C10 H12 K N6 O10 -","- C20 H24 K2 N12 O20 -","2","1","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.0827","0.0587","","","0.1583","0.1713","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513065","11.296","0.005","11.981","0.004","6.493","0.003","90","","105.347","0.013","90","","847.4","0.6","199","2","199","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","potassium violurate dihydrate","","","- C4 H2 K N3 O6 -","- C4 H6 K N3 O6 -","- C16 H24 K4 N12 O24 -","4","1","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.1134","0.0616","","","0.1276","0.1485","","","","","","0.816","","","","has coordinates","189207","2020-10-21","18:00:00",""
"1513066","18.814","0.004","5.4898","0.001","19.856","0.004","90","","103.984","0.006","90","","1990","0.7","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","potassium 5-sulfosalicylate salt II","","","- C11.2 H6.4 K2.4 N0 O10.4 S1.6 -","- C11.2 H6.4 K2.4 O10.4 S1.6 -","- C56 H32 K12 O52 S8 -","5","1.25","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.1105","0.0908","","","0.2711","0.2812","","","","","","1.496","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1513067","7.4067","0.0015","11.291","0.003","27.061","0.006","90","","97.024","0.007","90","","2246.1","0.9","204","2","204","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5-sulfosalicylate potassium tetrahydrate","","","- C7 H3 K2 O7.5 S -","- C7 H3 K2 O7.5 S -","- C56 H24 K16 O60 S8 -","8","2","","Storp, Jüergen; Stolle, Cornelia; Ivanova, Bojidarka; Spiteller, Michael","Crystal structures and physical properties of 5-sulfosalicylate and violurate metal-organic crystals – experimental vs. theoretical study","Journal of Coordination Chemistry","2012","65","","2055","","10.1080/00958972.2012.720756","","","0.71073","MoKα","","0.0982","0.0708","","","0.1792","0.1958","","","","","","1.088","","","","has coordinates","186650","2020-10-21","18:00:00",""