# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T04:54:41+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 'Crystal Structure Communications') AND volume = 11 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
"1535666","6.805","","9.124","","13.13","","93.83","","94.26","","110.94","","755.458","","","","","","","","","","","","","4","P -1","-P 1","2","","(S2 (Fe (C O)3)3)","","- C9 Fe3 O9 S2 -","- C9 Fe3 O9 S2 -","- C18 Fe6 O18 S4 -","2","1","","Huebener, P.; Weiss, E.","Enneacoarbnyl di-mue3-thion triiron (2Fe-Fe), C9 Fe3 O9 S2","Crystal Structure Communications","1982","11","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","163106","2020-10-21","18:00:00",""
"1541678","10.57","","10.77","","9.25","","90","","102.6","","90","","1027.65","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(H3 O) In (S O4)2 (H2 O)4","","- H11 In O13 S2 -","- H11 In O13 S2 -","- H44 In4 O52 S8 -","4","1","","Caminiti, R.; Marongiu, G.; Paschina, G.","Oxonium diaquadisulphatoindium(III) dihydrate (H3 O)+ (In(H2 O)2 (S O4)2)- * 2 H2 O","Crystal Structure Communications","1982","11","","955","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541784","26.433","","7.139","","8.044","","90","","90","","90","","1517.94","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","dicesium bismuth nitrate hydrate","","- Bi Cs2 H2 N5 O16 -","- Bi Cs2 H2 N5 O16 -","- Bi4 Cs8 H8 N20 O64 -","4","1","","Lazarini, F.; Leban, I.","Dicesium bismuth nitrate hydrate, Cs2 Bi (N O3)5 * H2 O","Crystal Structure Communications","1982","11","","653","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","303120","2025-10-31","16:25:09",""
"1541791","11.756","","12.901","","13.522","","90","","90","","90","","2050.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce (N O3)3 (H2 O)4","","- Ce H8 N3 O13 -","- Ce N3 O13 -","- Ce8 N24 O104 -","8","1","","Milinski, N.; Radivojevic, P.; Djuric, S.; Ribar, B.","Tetraaquatri(nitrato)cerium(III), Ce (H2 O)4 (N O3)3","Crystal Structure Communications","1982","11","","1241","1244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541837","12.822","","12.709","","12.358","","90","","91.25","","90","","2013.32","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tm P5 O14","","- O14 P5 Tm -","- O14 P5 Tm -","- O112 P40 Tm8 -","8","1","","Zhou, K.-J.; Qian, Y.-T.; Hong, G.-Y.","Thulium ultraphosphate, Tm P5 O14","Crystal Structure Communications","1982","11","","1695","1699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541876","17.062","","9.862","","14.051","","90","","90","","90","","2364.3","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Ba4 (Ti13 O30)","","- Ba4 O30 Ti13 -","- Ba4 O30 Ti13 -","- Ba16 O120 Ti52 -","4","0.25","","Tillmanns, E.","Tetrabarium tridecatitanate, Ba4 Ti13 O30","Crystal Structure Communications","1982","11","","2087","2092","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541986","11.755","","11.755","","6.712","","90","","90","","120","","803.208","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tb (Br O3)3 (H2 O)9","","- Br3 H18 O18 Tb -","- Br3 H18 O18 Tb -","- Br6 H36 O36 Tb2 -","2","0.0833333","","Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J.","The structure of terbium(III) bromate enneahydrate, Tb (H2 O)9 (Br O3)3","Crystal Structure Communications","1982","11","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1542153","11.809","","8.297","","9.923","","90","","118.72","","90","","852.641","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Co2 (P4 O12)","","- Co2 O12 P4 -","- Co2 O12 P4 -","- Co8 O48 P16 -","4","0.5","","Nord, A.G.","The structure of cobalt(II) tetrametaphosphate, Co2 P4 O12","Crystal Structure Communications","1982","11","","1467","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","174175","2020-10-21","18:00:00",""
"1542185","5.278","","17.346","","5.116","","90","","90","","90","","468.381","","","","","","","","","","","","","5","P b n 21","P 2c -2ab","33","","(N H4) Li (Se O4)","","- H4 Li N O4 Se -","- H4 Li N O4 Se -","- H16 Li4 N4 O16 Se4 -","4","1","","Waskowska, A.; Allmann, R.","Ammonium lithium selenate, N H4 Li Se O4","Crystal Structure Communications","1982","11","","2029","2034","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:44",""
"5000206","11.068","0.003","13.385","0.003","13.625","0.004","100.64","0.04","90.91","0.04","97.74","0.04","1963.98","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","4","","van Koningsveld, H.","","Crystal Structure Communications","1982","11","","1423","","","","","","","","","","","","","","","","","","","","","","","has coordinates","175433","2020-10-21","18:00:00",""