# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-05-10T17:30:27+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 'Metallomics') 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
"1546104","10.8019","0.0016","11.2323","0.0015","15.296","0.002","73.963","0.006","79.565","0.005","73.194","0.004","1697.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H51.5 La N3 O19.75 -","- C21 H51.498 La N3 O19.749 -","- C42 H102.996 La2 N6 O39.498 -","2","1","","Weekes, David M.; Cawthray, Jacqueline F.; Rieder, Meghanne; Syeda, Jaweria; Ali, Munawar; Wasan, Ellen; Kostelnik, Tom Kostelnik; Patrick, Brian O.; Panahifar, A.; Cooper, David M.L.; Al-Dissi, Ahmad; Wasan, Kishor; Orvig, Chris","La(III) biodistribution profiles from intravenous and oral dosing of two lanthanum complexes, La(dpp)3 and La(XT), and evaluation as treatments for bone resorption disorders","Metallomics","2017","","","","","10.1039/C7MT00133A","","x-ray","0.71073","MoKα","","0.0418","0.0353","","","0.0744","0.08","","","","","","1.155","","","","has coordinates,has disorder","196930","2020-10-21","18:00:00",""
"1549728","13.2523","0.0007","8.0408","0.0004","12.7339","0.0006","90","","91.04","0.004","90","","1356.69","0.12","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N2 O3 -","- C17 H12 N2 O3 -","- C68 H48 N8 O12 -","4","1","","Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong","Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin","Metallomics","2018","","","","","10.1039/C8MT00125A","","x-ray","0.71073","MoKα","","0.059","0.0491","","","0.1435","0.1491","","","","","","1.191","","","","has coordinates","209272","2020-10-21","18:00:00",""
"1549729","9.4211","0.0004","12.9359","0.0008","13.8521","0.0008","66.332","0.006","88.609","0.004","71.401","0.005","1454.91","0.16","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H23 Cl3 N2 O5 Pt2 S2 -","- C21 H23 Cl3 N2 O5 Pt2 S2 -","- C42 H46 Cl6 N4 O10 Pt4 S4 -","2","1","","Qin, Qi-Pin; Wang, Shulong; Tan, Mingxiong; Wang, Zhen-Feng; Huang, Xiao-Ling; Wei, Qingmin; Shi, Bei-Bei; Zou, Bi-Qun; Liang, Hong","Synthesis and antitumor mechanisms of two novel platinum(II) complexes with 3-(2′-benzimidazolyl)-7-methoxycoumarin","Metallomics","2018","","","","","10.1039/C8MT00125A","","","0.71073","MoKα","","0.085","0.0528","","","0.1259","0.1491","","","","","","1.0436","","","","has coordinates","209272","2020-10-21","18:00:00",""
"1549965","11.9382","0.0002","26.6092","0.0003","16.1416","0.0003","90","","93.06","0.002","90","","5120.33","0.14","140","0.9","140","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27.5 Au F6 N2.5 P S2 -","- C21 H27.5 Au F6 N2.5 P S2 -","- C168 H220 Au8 F48 N20 P8 S16 -","8","2","","Williams, Morwen; Bertrand, Benoît; Hughes, David L.; Waller, Zoe Ann Ella; Schmidt, Claudia; Ott, Ingo; O'Connell, Maria Anne; Searcey, Mark; Bochmann, Manfred","Cyclometallated Au(III) dithiocarbamate complexes: synthesis, anticancer evaluation and mechanistic studies.","Metallomics","2018","","","","","10.1039/C8MT00225H","","","0.71073","Mo-Kα","","0.0285","0.0242","","","0.0479","0.049","","","","","","1.154","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1552326","10.042","0.004","21.179","0.008","9.137","0.003","90","","113.576","0.005","90","","1781.1","1.1","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Cl N2 O3 Pt S -","- C16 H17 Cl N2 O3 Pt S -","- C64 H68 Cl4 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","","0.71073","MoKα","","0.0295","0.0277","","","0.0771","0.0781","","","","","","1.124","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552327","9.5523","0.0004","18.2853","0.0006","10.8746","0.0004","90","","95.584","0.004","90","","1890.42","0.12","296.15","","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl N2 O3 Pt S -","- C17 H19 Cl N2 O3 Pt S -","- C68 H76 Cl4 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","x-ray","0.71073","MoKα","","0.0572","0.0413","","","0.0867","0.0961","","","","","","1.02","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552328","12.476","0.0002","21.4728","0.0005","7.00394","0.00016","90","","90","","90","","1876.32","0.07","298.15","","298.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C16 H16 Cl2 N2 O3 Pt S -","- C16 H14 Cl2 N2 O3 Pt S -","- C64 H56 Cl8 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","x-ray","0.71073","MoKα","","0.0328","0.0275","","","0.0627","0.0649","","","","","","1.057","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552329","5.8117","0.0017","10.739","0.003","14.832","0.004","74.851","0.004","79.576","0.004","87.129","0.004","878.8","0.4","296.15","","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C16 H16 Cl F N2 O3 Pt S -","- C16 H16 Cl F N2 O3 Pt S -","- C32 H32 Cl2 F2 N4 O6 Pt2 S2 -","2","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","","0.71073","MoKα","","0.0193","0.0177","","","0.0435","0.0443","","","","","","1.045","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552330","5.6653","0.0005","19.55","0.002","16.9661","0.0017","90","","91.032","0.009","90","","1878.8","0.3","296.15","","296.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 Br Cl N2 O3 Pt S -","- C16 H15 Br Cl N2 O3 Pt S -","- C64 H60 Br4 Cl4 N8 O12 Pt4 S4 -","4","1","","Deng, Jungang; Yu, Ping; zhang, zhenlei; zhang, juzheng; Zhewen, Sun; Cai, Meiling; Yuan, Haoliang; Liang, Hong; Yang, Feng","Novel Pt(II) complexes with modified aroyl-hydrazone Schiff-base ligands: synthesis, cytotoxicity and action mechanism","Metallomics","2019","","","","","10.1039/C9MT00193J","","x-ray","0.71073","MoKα","","0.0711","0.0537","","","0.1231","0.1355","","","","","","1.034","","","","has coordinates","218241","2020-10-21","18:00:00",""
"1552341","16.4923","0.0009","13.8229","0.0007","14.3262","0.0008","90","","110.227","0.002","90","","3064.6","0.3","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Mn(CO)3(k3N-tqa]Br*(H2O)3","","- C33 H30 Br Mn N4 O6 -","- C33 H30 Br Mn N4 O6 -","- C132 H120 Br4 Mn4 N16 O24 -","4","1","","Güntzel, Paul; Nagel, Christoph; Weigelt, Jeanette; Betts, Jonathan; Pattrick, Calum A.; Southam, Hannah M.; LaRagione, Roberto; Poole, Robert; Schatzschneider, Ulrich","Biological activity of manganese(I) tricarbonyl complexes on multidrug-resistant Gram-negative bacteria: From functional studies to in vivo activity in Galleria mellonella","Metallomics","2019","","","","","10.1039/C9MT00224C","","","0.71073","MoKα","","0.0414","0.029","","","0.0633","0.0685","","","","","","1.0451","","","","has coordinates","300101","2025-06-17","17:58:10",""
"1552443","3.772","0.003","13.655","0.012","11.517","0.011","90","","92.726","0.014","90","","592.5","0.9","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cu O4 -","- C14 H10 Cu O4 -","- C28 H20 Cu2 O8 -","2","0.5","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0735","0.0506","","","0.123","0.138","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:26",""
"1552444","9.1448","0.0004","13.4418","0.0007","14.6873","0.0007","110.896","0.005","92.6","0.004","99.526","0.004","1652.69","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 Cl Cu N2 O2.5 -","- C19 H14 Cl Cu N2 O2.5 -","- C76 H56 Cl4 Cu4 N8 O10 -","4","2","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0652","0.0453","","","0.1091","0.1252","","","","","","1.061","","","","has coordinates","274567","2022-04-19","14:22:36",""
"1552445","9.547","0.003","12.575","0.004","14.02","0.004","90","","94.564","0.004","90","","1677.8","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl Cu N2 O3 -","- C17 H15 Cl Cu N2 O3 -","- C68 H60 Cl4 Cu4 N8 O12 -","4","1","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0284","0.0241","","","0.0668","0.07","","","","","","1.024","","","","has coordinates","219408","2020-10-21","18:00:00",""
"1552446","8.0152","0.0011","12.4307","0.0017","14.712","0.002","90.432","0.002","95.729","0.002","102.287","0.002","1424.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 Cu2 N2 O6 -","- C34 H26 Cu2 N2 O6 -","- C68 H52 Cu4 N4 O12 -","2","1","","Mo, Xiyu; Chen, Zilu; Chu, Bo; Liu, Dongcheng; Liang, Yuning; Liang, Fupei","Structure and Anticancer Activities of Four Cu(II) Complexes Bearing Tropolone","Metallomics","2019","","","","","10.1039/C9MT00165D","","","0.71073","MoKα","","0.0343","0.0285","","","0.0805","0.0852","","","","","","1.054","","","","has coordinates","301780","2025-08-18","21:43:26",""