# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T23:17:45+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 'Acta Chimica Sinica') 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
"1520940","19.482","","8.523","","9.83","","90","","90","","90","","1632.22","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","K Hg Sb Se3","","- Hg K Sb Se3 -","- Hg K0.9995 Sb Se3 -","- Hg8 K7.996 Sb8 Se24 -","8","1","","Chen, Z.; Wang, R.-J.","Crystal structures and semiconductor properties of alkaline metal selenides MHgSbSe~3~ (M = K, Rb, Cs)","Acta Chimica Sinica","2000","58","3","326","331","","","","","","","0.077","","","0.118","","","","","","","","","","","","has coordinates","188714","2020-10-21","18:00:00",""
"1544728","13.679","0.006","10.706","0.004","6.944","0.006","90","","90","","90","","1016","1","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br3 Co H15 N5 -","- Br3 Co H15 N5 -","- Br12 Co4 H60 N20 -","4","0.5","","Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F.","Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~","Acta Chimica Sinica","1998","56","","1184","1191","","single crystal","","","","","0.028","","","0.037","","","","","","","","","","","","has coordinates","277831","2022-09-14","14:31:33",""
"5000266","6.972","0.001","13.115","0.003","21.258","0.003","90","","90","","90","","1943.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Cl6 N2 O2 -","- C14 H16 Cl6 N2 O2 -","- C56 H64 Cl24 N8 O8 -","4","1","","Su, Jing-Yu; Zhong, Yong-Li; Zeng, Long-Mei; Lu, Yang; Tian, Zhi-Yue; Zheng, Qi-Tai","Studies on structure and conformation of marine polychlorinated diketopiperazines","Acta Chimica Sinica","1995","53","1","90","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"6000132","4.444","0.001","15.514","0.006","11.261","0.007","90","","90","","90","","776.38","","","","","","","","","","","","","4","C m c m","","","","","","- Cs Hg Sb Se3 -","- Cs Hg Sb2 Se3 -","- Cs4 Hg4 Sb8 Se12 -","4","0.25","","Chen, Z.; Wang, R.-J.","Crystal structures and semiconductor properties of alkline metal selenides MHgSbSe~3~ (M = K, Rb, Cs)","Acta Chimica Sinica","2000","58","3","326","331","","","","","","","0.0605","","","0.1234","","","","","","","","","","","","has coordinates","188714","2020-10-21","18:00:00",""
"6000133","7.758","","11.234","","8.849","","90","","106.6","","90","","739.08","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Hg Rb Sb Se3 -","- Hg Rb Sb Se3 -","- Hg4 Rb4 Sb4 Se12 -","4","1","","Chen, Z.; Wang, R.-J.","Crystal structures and semiconductor properties of alkaline metal selenides MHgSbSe~3~ (M = K, Rb, Cs)","Acta Chimica Sinica","2000","58","3","326","331","","","","","","","0.0552","","","0.1198","","","","","","","","","","","","has coordinates","208377","2020-10-21","18:00:00",""
"6000370","13.692","0.001","10.707","0.001","6.94","0.001","90","","90","","90","","1017.41","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Br3 Co H15 N5 -","- Br3 Co H15 N5 -","- Br12 Co4 H60 N20 -","4","0.5","","Wu, H. X.; Ma, L. D.; Sun, J.; Kong, X. F.","Ab initio structure determination using conventional X-ray powder diffraction – the crystal structure of [Co(NH~3~)~5~Br]Br~2~","Acta Chimica Sinica","1998","56","","1184","1191","","powder diffraction","","","","","0.041","","","","","","","0.042","","","","","","","","has coordinates","278244","2022-09-28","13:56:22",""