# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-01T03:24:52+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 = 405 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
"1513896","19.894","0.003","19.894","0.003","13.562","0.002","90","","90","","90","","5367.4","1.4","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C26 H28 Cu F2 N4 O2 S2 -","- C26 H28 Cu F2 N4 O2 S2 -","- C208 H224 Cu8 F16 N32 O16 S16 -","8","0.5","","Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying","Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands","Inorganica Chimica Acta","2013","405","","387","394","10.1016/j.ica.2013.06.029","","","0.7107","MoKα","","0.1062","0.0764","","","0.1448","0.1601","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513897","8.346","0.008","8.575","0.007","10.271","0.009","100.237","0.007","107.28","0.03","106.761","0.013","643.6","1","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Cu F2 N4 O2 S2 -","- C26 H28 Cu F2 N4 O2 S2 -","- C26 H28 Cu F2 N4 O2 S2 -","1","0.5","","Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying","Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands","Inorganica Chimica Acta","2013","405","","387","394","10.1016/j.ica.2013.06.029","","","0.7107","MoKα","","0.1375","0.0698","","","0.1194","0.1606","","","","","","0.917","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513898","10.575","0.003","10.434","0.003","16.122","0.004","90","","93.338","0.006","90","","1775.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H30 Cu2 F4 N2 O10 -","- C34 H30 Cu2 F4 N2 O10 -","- C68 H60 Cu4 F8 N4 O20 -","2","0.5","","Liu, Huanhuan; Yang, Wen; Zhou, Weiqun; Xu, Yunlong; Xie, Juan; Li, Mengying","Crystal structures and antimicrobial activities of copper(II) complexes of fluorine-containing thioureido ligands","Inorganica Chimica Acta","2013","405","","387","394","10.1016/j.ica.2013.06.029","","","0.7107","MoKα","","0.0995","0.0708","","","0.1356","0.1515","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517781","17.636","0.004","13.429","0.003","11.648","0.002","90","","118.06","0.03","90","","2434.4","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 B Br2 F4 N4 Na -","- C24 H14 B Br2 F4 N4 Na -","- C96 H56 B4 Br8 F16 N16 Na4 -","4","0.5","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.0714","0.0677","","","0.1342","0.1362","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517782","7.1267","0.0014","22.64","0.005","17.917","0.004","90","","108.39","0.03","90","","2743.2","1.1","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 B Br F4 N2 Na -","- C12 H7 B Br F4 N2 Na -","- C96 H56 B8 Br8 F32 N16 Na8 -","8","2","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.0889","0.0794","","","0.1677","0.1725","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517783","14.532","0.003","5.026","0.001","19.667","0.004","90","","90","","90","","1436.4","0.5","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C12 H6 B Br2 F4 N2 Na -","- C12 H6 B Br2 F4 N2 Na -","- C48 H24 B4 Br8 F16 N8 Na4 -","4","1","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.055","0.0507","","","0.0993","0.1009","","","","","","1.176","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517784","7.7705","0.0016","11.815","0.002","17.437","0.004","90","","102.58","0.03","90","","1562.4","0.6","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 B F4 N2 Na S -","- C16 H10 B F4 N2 Na S -","- C64 H40 B4 F16 N8 Na4 S4 -","4","1","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.1171","0.098","","","0.2095","0.2188","","","","","","1.125","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517785","14.562","0.004","14.562","0.004","5.852","0.003","90","","90","","90","","1240.9","0.8","291","2","291","2","","","","","","","","4","P 42/n c m :2","-P 4ac 2ac","138","","","","- C12 H6 Br2 N2 -","- C12 H6 Br2 N2 -","- C48 H24 Br8 N8 -","4","0.25","","Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang","Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands","Inorganica Chimica Acta","2013","405","","1","8","","","","0.71073","MoKα","","0.1609","0.0583","","","0.1538","0.1785","","","","","","0.7","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517820","10.2538","0.0007","11.2279","0.0008","15.3232","0.0011","110.251","0.001","97.209","0.001","105.779","0.001","1544.88","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H62 Cu3 N12 O24 S2 -","- C56 H62 Cu3 N12 O24 S2 -","- C56 H62 Cu3 N12 O24 S2 -","1","0.5","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.0423","0.0353","","","0.0902","0.0952","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517821","6.57","0.003","13.987","0.006","14.694","0.006","77.243","0.007","89.427","0.007","85.409","0.01","1312.7","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H29 Cu2 N3 O9 -","- C25 H29 Cu2 N3 O9 -","- C50 H58 Cu4 N6 O18 -","2","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.1021","0.055","","","0.1278","0.1508","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517822","8.531","0.002","12.57","0.004","13.252","0.004","105.078","0.003","90.123","0.003","107.139","0.003","1306.4","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cu2 N3 O12.5 -","- C21 H21 Cu2 N3 O12.5 -","- C42 H42 Cu4 N6 O25 -","2","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.1878","0.0896","","","0.2182","0.2621","","","","","","0.989","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517823","8.6901","0.0014","15.562","0.003","13.569","0.002","90","","105.63","0.002","90","","1767.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu N3 O7 -","- C16 H19 Cu N3 O7 -","- C64 H76 Cu4 N12 O28 -","4","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.0475","0.0355","","","0.0796","0.0836","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517824","23.476","0.003","8.8641","0.001","17.5434","0.0019","90","","110.884","0.001","90","","3410.8","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 Cu N3 O7 -","- C16 H19 Cu N3 O7 -","- C128 H152 Cu8 N24 O56 -","8","1","","Jacob W. Uebler; Amy L. Pochodylo; Robert L. LaDuca","Copper glutarate coordination polymers with dipyridylamide ligands: Effect of donor disposition and steric bulk on structure","Inorganica Chimica Acta","2013","405","","31","42","","","","0.71073","MoKα","","0.0395","0.0321","","","0.0853","0.0899","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""