# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-13T06:08:01+02:00
# 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 'Crystal Structure Communications') AND volume = 7 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
"1541695","12.219","","10.574","","13.986","","90","","103.61","","90","","1756.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cd S O3)2 (H2 O)3","","- Cd2 H6 O9 S2 -","- Cd2 O9 S2 -","- Cd16 O72 S16 -","8","2","","Kiers, C.T.; Vos, A.","Cadmium sulfite hydrate 2 Cd S O3 * 3 H2 O","Crystal Structure Communications","1978","7","","399","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542061","6.3346","","6.3346","","14.871","","90","","90","","120","","516.784","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Cs3 (F3 (V O F2)2)","","- Cs3 F7 O2 V2 -","- Cs3 F7.0002 O1.9998 V2 -","- Cs6 F14.0004 O3.9996 V4 -","2","0.0833333","","Waltersson, K.","The crystal structure of Cs3 V2 O2 F7","Crystal Structure Communications","1978","7","","507","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","173995","2020-10-21","18:00:00",""
"1542121","8.232","","9.164","","7.984","","107.45","","98.32","","71.44","","543.887","","","","","","","","","","","","","4","P -1","-P 1","2","","((H2 O)7 Pr Cl2 Pr (H2 O)7) Cl4","","- Cl6 H28 O14 Pr2 -","- Cl6 O14 Pr2 -","- Cl6 O14 Pr2 -","1","0.5","","Habenschuss, A.; Spedding, F.H.","Di-mue-chloro-bis(heptaaquapraseodymium(III)) tetrachloride","Crystal Structure Communications","1978","7","","535","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542250","7.403","","5.65","","11.443","","90","","90","","90","","478.626","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","K2 V O F4","","- F4 K2 O V -","- F4 K2 O V -","- F16 K8 O4 V4 -","4","1","","Waltersson, K.; Karlsson, B.","K2 V O F4","Crystal Structure Communications","1978","7","","459","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1558538","14.661","0.003","8.8474","0.001","7.6749","0.0009","90","","90","","90","","995.5","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","","","- C2 H3 N O S7 -","- C2 H3 N O S7 -","- C8 H12 N4 O4 S28 -","4","1","","A. Vegas; M. Martinez-Ripoli; S. Garcia-Blanco","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","Crystal Structure Communications","1978","7","","215","218","","","x-ray","1.5418","CuKα","","","0.096","","","0.116","","","","","","","","","","","has coordinates","254114","2020-10-21","18:00:00",""
"5000079","6.188","0.001","11.863","0.002","12.058","0.002","90","","91.91","0.01","90","","884.66","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","pregnenolone","","","- C21 H32 O2 -","- C21 H32 O2 -","- C42 H64 O4 -","2","1","","Bordner, J.; Hennesee, G. L. A.; Chandross, R. J.","","Crystal Structure Communications","1978","7","","513","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","187368","2020-10-21","18:00:00",""
"5000106","9.254","0.002","19.127","0.004","9.704","0.002","90","","90","","90","","1717.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H3 N3 O7 -","- C6 H1.5 N3 O7 -","- C48 H12 N24 O56 -","8","2","","Duesler, E. N.; Engelmann, J. H.; Curtin, D. Y.; Paul, I. C.","Picric acid: C~6~H~3~N~3~O~7~","Crystal Structure Communications","1978","7","","449","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","175295","2020-10-21","18:00:00",""