# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T15:02:31+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 'Inorganica Chimica Acta') AND volume = 425 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
"1518313","24.007","0.0011","14.6606","0.0012","26.57","0.0012","90","","92.563","0.004","90","","9342.1","1","100","0.1","100","0.1","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C72 H68 F24 N26 O2 P4 Ru2 -","- C72 H68 F24 N26 O2 P4 Ru2 -","- C288 H272 F96 N104 O8 P16 Ru8 -","4","0.5","","Kumar, Sreedhar V.; Lo, Warrick K.C.; Brooks, Heather J.L.; Crowley, James D.","Synthesis, structure, stability and antimicrobial activity of a ruthenium(II) helicate derived from a bis-bidentate ""click"" pyridyl-1,2,3-triazole ligand","Inorganica Chimica Acta","2015","425","","1","6","10.1016/j.ica.2014.10.011","","","1.5418","CuKα","","0.1439","0.0958","","","0.2509","0.2875","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518314","7.3532","0.0015","15.123","0.003","15.554","0.003","90","","103.11","0.03","90","","1684.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 Cd N2 O4 -","- C18 H17 Cd N2 O4 -","- C72 H68 Cd4 N8 O16 -","4","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0571","0.0483","","","0.0882","0.0924","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518315","17.061","0.0004","14.6879","0.0003","22.0163","0.0005","90","","90","","90","","5517.1","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H34 Cd N4 O5 -","- C29 H34 Cd N4 O5 -","- C232 H272 Cd8 N32 O40 -","8","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0661","0.033","","","0.0696","0.0825","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1518316","15.69","0.003","9.0941","0.0014","21.264","0.003","90","","101.23","0.003","90","","2976","0.8","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C56 H66 Cd2 N8 O11 -","- C56 H66 Cd2 N8 O11 -","- C112 H132 Cd4 N16 O22 -","2","0.5","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0852","0.0473","","","0.1373","0.1572","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518317","7.7525","0.0011","12.7608","0.0019","13.0438","0.0018","71.42","0.002","82.875","0.002","74.766","0.002","1179","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H32 Cd N2 O5 -","- C24 H32 Cd N2 O5 -","- C48 H64 Cd2 N4 O10 -","2","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0653","0.0508","","","0.1362","0.1447","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518318","11.4475","0.0008","11.593","0.0008","13.3747","0.001","76.497","0.001","78.592","0.001","64.39","0.001","1546.82","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H38 Cd N4 O6 -","- C26 H38 Cd N4 O6 -","- C52 H76 Cd2 N8 O12 -","2","1","","Ran, Yungen; Xie, Jixing; Mu, Yajuan; Zhang, Linfen; Han, Bo","A series of 2D Cd(II) coordination polymers constructed from dicarboxylate acids and a flexible imidazole-based ligand","Inorganica Chimica Acta","2015","425","","17","27","10.1016/j.ica.2014.09.025","","","0.71073","MoKα","","0.0717","0.0555","","","0.1625","0.1806","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518319","7.0184","0.0004","10.3158","0.0004","10.6545","0.0005","90","","107.051","0.006","90","","737.48","0.07","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Cd Cl N2 O3 -","- C4 H5 Cd Cl N2 O3 -","- C16 H20 Cd4 Cl4 N8 O12 -","4","1","","Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng","Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties","Inorganica Chimica Acta","2015","425","","28","35","10.1016/j.ica.2014.10.024","","","0.71073","MoKα","","0.0214","0.0188","","","0.0442","0.0455","","","","","","1.005","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1518320","15.0658","0.0005","13.145","0.0003","15.5206","0.0005","90","","112.932","0.004","90","","2830.78","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 Cd Cl N6 O6 -","- C28 H19 Cd Cl N6 O6 -","- C112 H76 Cd4 Cl4 N24 O24 -","4","1","","Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng","Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties","Inorganica Chimica Acta","2015","425","","28","35","10.1016/j.ica.2014.10.024","","","0.71073","MoKα","","0.0812","0.0571","","","0.1602","0.1872","","","","","","1.017","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1518321","8.8834","0.0006","9.2233","0.0005","9.4907","0.0008","95.785","0.006","100.198","0.006","101.908","0.005","741.21","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N8 O8 Zn2 -","- C28 H28 N8 O8 Zn2 -","- C28 H28 N8 O8 Zn2 -","1","0.5","","Liu, Guang-Ning; Zhu, Wen-Juan; Chu, Ya-Nan; Li, Cuncheng","Three d10 metal coordination compounds based on pyrazole-3-carboxylic acid showing mixed-ligand characteristic: Syntheses, crystal structures, and photoluminescent properties","Inorganica Chimica Acta","2015","425","","28","35","10.1016/j.ica.2014.10.024","","","0.71073","MoKα","","0.0329","0.0278","","","0.0707","0.0744","","","","","","1.002","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1518322","11.4611","0.0008","8.8278","0.0006","28.757","0.002","90","","90","","90","","2909.5","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C128 H136 N24 O16 -","8","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.1201","0.0569","","","0.114","0.1427","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518323","26.243","0.011","10.56","0.003","13.89","0.004","90","","119.44","0.04","90","","3352","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N3 O2 -","- C19 H21 N3 O2 -","- C152 H168 N24 O16 -","8","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.1709","0.0582","","","0.1023","0.1615","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518324","20.213","0.018","11.155","0.006","13.117","0.003","90","","90","","90","","2958","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H32 Mn N6 O4 -","- C32 H32 Mn N6 O4 -","- C128 H128 Mn4 N24 O16 -","4","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.3836","0.1061","","","0.1288","0.2295","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518325","10.1639","0.0004","9.6526","0.0003","18.9701","0.0006","90","","91.74","0.003","90","","1860.26","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cu N3 O3 S -","- C18 H21 Cu N3 O3 S -","- C72 H84 Cu4 N12 O12 S4 -","4","1","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.0771","0.0473","","","0.0975","0.1097","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518326","9.004","0.005","13.522","0.005","17.296","0.005","79.133","0.005","75.504","0.005","71.182","0.005","1916.4","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H21 N3 O3 S Zn -","- C18 H21 N3 O3 S Zn -","- C72 H84 N12 O12 S4 Zn4 -","4","2","","Mishra, Monika; Tiwari, Karishma; Singh, Ashish Kumar; Singh, Vinod P.","Versatile coordination behaviour of a multi-dentate Schiff base with manganese(II), copper(II) and zinc(II) ions and their corrosion inhibition study","Inorganica Chimica Acta","2015","425","","36","45","10.1016/j.ica.2014.10.026","","","0.71073","MoKα","","0.2708","0.1403","","","0.3148","0.4062","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518327","8.06","0.0012","14.0316","0.0018","13.4153","0.0017","90","","97.456","0.016","90","","1504.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(4-azpy)2(NO2)2]","","","- C10 H8 N10 O4 Zn -","- C10 H8 N10 O4 Zn -","- C40 H32 N40 O16 Zn4 -","4","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.0377","0.0349","","","0.0902","0.0918","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518328","5.5546","0.0011","9.0633","0.0018","15.527","0.003","74.72","0.02","80.86","0.02","78.21","0.02","733.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Zn(4-azpy)2(NCO)2]","","","- C12 H8 N10 O2 Zn -","- C12 H8 N10 O2 Zn -","- C24 H16 N20 O4 Zn2 -","2","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.0759","0.0639","","","0.1293","0.1337","","","","","","1.2","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518329","8.1876","0.0004","8.2228","0.0004","11.8147","0.0006","109.876","0.002","91.188","0.002","98.745","0.002","737.1","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","[Zn(N3)2(4-azpy)2]n","","","- C10 H8 N14 Zn -","- C10 H8 N14 Zn -","- C20 H16 N28 Zn2 -","2","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.0266","0.0226","","","0.0505","0.0515","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518330","19.0082","0.0005","7.8756","0.0002","20.9499","0.0006","90","","115.916","0.001","90","","2820.83","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Zn(4-azpy)4(NCS)2]","","","- C22 H16 N18 S2 Zn -","- C22 H16 N18 S2 Zn -","- C88 H64 N72 S8 Zn4 -","4","1","","Mautner, Franz A.; Scherzer, Michael; Berger, Christian; Fischer, Roland C.; Massoud, Salah S.","Synthesis, characterization and luminescence properties of zinc(II) complexes of pseudohalides and nitrite derived from 4-azidopyridine","Inorganica Chimica Acta","2015","425","","46","51","10.1016/j.ica.2014.10.018","","","0.71073","MoKα","","0.1019","0.0556","","","0.1474","0.1626","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518331","8.2464","0.0007","12.5278","0.0009","9.1307","0.0007","90","","104.737","0.009","90","","912.26","0.13","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C5 H8 Ag Br2 N2 -","- C5 H8 Ag Br2 N2 -","- C20 H32 Ag4 Br8 N8 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","1.5418","CuKα","","0.0865","0.0788","","","0.2171","0.2282","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518332","7.061","0.008","7.702","0.009","9.321","0.011","87.062","0.014","85.931","0.014","69.444","0.014","473.3","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H16 Ag2 I4 N4 -","- C10 H16 Ag2 I4 N4 -","- C10 H16 Ag2 I4 N4 -","1","0.5","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.71073","MoKα","","0.0895","0.0802","","","0.2563","0.266","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518333","7.049","0.0003","21.8537","0.0009","13.1219","0.0007","90","","93.54","0.004","90","","2017.53","0.16","291","2","291.15","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H20 Ag2 Br4 N4 -","- C12 H20 Ag2 Br4 N4 -","- C48 H80 Ag8 Br16 N16 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.7107","MoKα","","0.0843","0.0466","","","0.0941","0.1123","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518334","8.1184","0.0006","10.2788","0.0007","11.1619","0.001","107.439","0.007","104.091","0.007","94.198","0.006","851.06","0.13","291","2","291.15","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H14 Cu2 N5 S3 -","- C11 H14 Cu2 N5 S3 -","- C22 H28 Cu4 N10 S6 -","2","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","1.5418","CuKα","","0.0474","0.0356","","","0.0881","0.0963","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518335","5.9561","0.0002","12.4658","0.0006","20.3391","0.0007","90","","98.649","0.003","90","","1492.96","0.1","291","2","291.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cu N4 S2 -","- C11 H16 Cu N4 S2 -","- C44 H64 Cu4 N16 S8 -","4","1","","Zhang, Wen-Li; Huang, Zhi-Peng; Ma, Cheng-Jie; Zai, Yu-Xia; Yang, Qing; Niu, Yun-Yin","Novel bis(methylimidazolium) alkane bolaamphiphiles as templates for the construction of haloclusters supramolecules","Inorganica Chimica Acta","2015","425","","52","60","10.1016/j.ica.2014.09.032","","","0.7107","MoKα","","0.0703","0.0435","","","0.0884","0.0991","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518336","14.6","0.003","14.602","0.003","23.236","0.004","99.165","0.005","99.281","0.005","94.805","0.005","4795.9","1.6","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C75 H45 Fe11 O62.23 -","- C75 H45 Fe11 O62.2303 -","- C150 H90 Fe22 O124.461 -","2","1","","Mal, Sunit K.; Mitra, Merry; Biswas, Bhaskar; Kaur, Gurpreet; Bag, Partha P.; Reddy, C. Malla; Choudhury, Angshuman Roy; Aliaga-Alcalde, Nuria; Ghosh, Rajarshi","Ligand template synthesis of an undecametallic iron(III) complex: X-ray structure, magnetism and catecholase activity","Inorganica Chimica Acta","2015","425","","61","66","10.1016/j.ica.2014.09.027","","","0.71073","MoKα","","0.1292","0.069","","","0.1594","0.1901","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""