# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T16:03:48+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 'Inorganica Chimica Acta') AND volume = 445 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
"1542767","16.17","0.002","15.723","0.002","22.381","0.003","90","","98.896","0.002","90","","5621.7","1.3","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H56 Cl4 Cs2 N20 O13 Zn -","- C45 H50 Cl4 Cs2 N20 O13 Zn -","- C180 H200 Cl16 Cs8 N80 O52 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0321","0.0294","","","0.0748","0.0781","","","","","","1.069","","","","has coordinates","178171","2020-10-21","18:00:00",""
"1542768","11.478","0.003","15.141","0.004","34.706","0.008","90","","90","","90","","6032","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H77 Cl5 K2 N20 O23 Zn -","- C45 H50 Cl5 K2 N20 O12 Zn -","- C180 H200 Cl20 K8 N80 O48 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.1055","0.0708","","","0.1745","0.1946","","","","","","0.966","","","","has coordinates","178172","2020-10-21","18:00:00",""
"1542769","11.522","0.0016","15.252","0.002","35.056","0.005","90","","90","","90","","6160.5","1.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H75 Cl5 N20 Na2 O22 Zn -","- C45 H50 Cl5 N20 Na2 O12 Zn -","- C180 H200 Cl20 N80 Na8 O48 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0729","0.0566","","","0.1547","0.1632","","","","","","1.051","","","","has coordinates","178173","2020-10-21","18:00:00",""
"1542770","16.032","0.003","15.689","0.003","22.294","0.004","90","","99.974","0.002","90","","5522.8","1.8","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C45 H56 Cl4 N20 O13 Rb2 Zn -","- C45 H50 Cl4 N20 O13 Rb2 Zn -","- C180 H200 Cl16 N80 O52 Rb8 Zn4 -","4","1","","Wei, Lian Tong; Zhang, Yun Qian; Zhou, Kai Zhi; Zhan, Lin Ling; Qu, Yun Xia; Tao, Zhu; Ma, Pei Hua","Coordination of fully substituted cyclopentano cucurbit[5]uril with alkali cation in the presence of tetrachloridezicate anion","Inorganica Chimica Acta","2016","445","","1","7","10.1016/j.ica.2016.01.041","","","0.71073","MoKα","","0.0565","0.0432","","","0.1079","0.1158","","","","","","1.075","","","","has coordinates,has disorder","178174","2020-10-21","18:00:00",""