# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T17:56:35+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 Chemical Crystallography') AND volume = 35 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
"1500012","24.778","0.002","30.457","0.002","6.5364","0.0005","90","","90","","90","","4932.8","0.7","298","2","298","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C8 H32 Co2 Cr2 N12 O15 -","- C8 H32 Co2 Cr2 N12 O15 -","- C64 H256 Co16 Cr16 N96 O120 -","8","0.5","","Raj Pal Sharma; Rajni Sharma; Ritu Bala; Juan M. Salas; Miguel Quirós","Synthesis, spectroscopic characterisation and X-ray structure of [trans-Co(en)~2~(NO~2~)~2~]~2~(Cr~2~O~7~)","Journal of Chemical Crystallography","2005","35","10","769","775","10.1007/s10870-005-3886-9","","","0.71073","MoKα","","0.066","0.0617","","","0.1518","0.155","","","","","","1.094","","","","has coordinates","174896","2020-10-21","18:00:00",""
"1534654","9.1508","","25.5271","","8.3574","","90","","90","","90","","1952.23","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Zn4 (P2 O7)2 (H2 O)10","","- H20 O24 P4 Zn4 -","- H20 O24 P4 Zn4 -","- H80 O96 P16 Zn16 -","4","0.5","","Assaaoudi, H.; Belanger-Gariepy, F.; Butler, I. S.; Kozinski, J.","Crystal structure, vibrational spectra and thermal decomposition of a new tetrazinc(II) dipyrophosphate decahydrate, Zn~4~(P~2~O~7~)~2~.~10~H~2~O","Journal of Chemical Crystallography","2005","35","1","49","59","10.1007/s10870-005-1154-7","","","","","","","","","","","","","","","","","","","","","has coordinates","174916","2020-10-21","18:00:00",""
"1536505","8.8594","","5.3265","","7.0493","","90","","90","","90","","332.654","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Be F4 -","- Ba Be F4 -","- Ba4 Be4 F16 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536509","8.8657","","5.3902","","7.1007","","90","","90","","90","","339.328","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Ba (Be F4)0.535 (S O4)0.465","","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba Be0.535 F2.14 O1.86 S0.465 -","- Ba4 Be2.14 F8.56 O7.44 S1.86 -","4","0.5","","Werner, F.; Kubel, F.","Barite-type Ba(BeF~4~)~x~(SO~4~)~1-x~ (x=1 and approx.0.5)","Journal of Chemical Crystallography","2005","35","6","457","462","10.1007/s10870-005-2220-x","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""