# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-23T17:55:12+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 : integrated biometal science') AND volume = 11 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
"1550243","38.111","0.003","7.4534","0.0005","16.3979","0.0013","90","","113.273","0.002","90","","4278.9","0.6","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Hg2 I4 N4 S2 -","- C9 H12 Hg2 I4 N4 S2 -","- C72 H96 Hg16 I32 N32 S16 -","8","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S1] and [S2]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0576","0.0383","","","0.0738","0.0798","","","","","","1.028","","","","has coordinates,has disorder","224651","2020-10-21","18:00:00",""
"1550244","17.9245","0.0016","12.3888","0.0016","10.6773","0.001","90","","126.485","0.005","90","","1906.3","0.4","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C22 H36 Cl4 Hg2 N8 O2 S6 -","- C22 H36 Cl4 Hg2 N8 O2 S6 -","- C44 H72 Cl8 Hg4 N16 O4 S12 -","2","0.25","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S1] and [S2]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.029","0.0275","","","0.0722","0.0729","","","","","","1.336","","","","has coordinates,has disorder","224651","2020-10-21","18:00:00",""
"1550245","7.2921","0.0006","7.8235","0.0006","30.636","0.002","90","","93.61","0.003","90","","1744.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 N4 O4 S2 -","- C15 H20 N4 O4 S2 -","- C60 H80 N16 O16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S1] and [S2]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0563","0.0419","","","0.0878","0.0957","","","","","","1.093","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550246","17.7977","0.0016","12.295","0.0011","10.8212","0.001","90","","125.868","0.002","90","","1918.9","0.3","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H24 Br4 Hg2 N8 S4 -","- C18 H24 Br4 Hg2 N8 S4 -","- C36 H48 Br8 Hg4 N16 S8 -","2","0.25","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S1] and [S2]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0573","0.0354","","","0.0938","0.1099","","","","","","0.757","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550247","10.1454","0.0003","15.0815","0.0003","15.2995","0.0003","90","","90","","90","","2340.94","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Hg2 I4 N4 S2 -","- C10 H16 Hg2 I4 N4 S2 -","- C40 H64 Hg8 I16 N16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S1] and [S2]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0262","0.0212","","","0.0445","0.0467","","","","","","1.061","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550248","9.6186","0.0007","14.2021","0.0011","13.5419","0.0011","90","","108.982","0.003","90","","1749.3","0.2","252","2","252","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Br2 Hg N4 S2 -","- C10 H16 Br2 Hg N4 S2 -","- C40 H64 Br8 Hg4 N16 S8 -","4","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S1] and [S2]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0348","0.0262","","","0.059","0.0622","","","","","","1.03","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550249","18.3607","0.0007","14.7466","0.0006","11.7959","0.0004","90","","107.761","0.001","90","","3041.6","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Hg2 I4 N6 S3 -","- C15 H24 Hg2 I4 N6 S3 -","- C60 H96 Hg8 I16 N24 S12 -","4","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S1] and [S2]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0567","0.0322","","","0.0544","0.0657","","","","","","1.063","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550597","7.0684","0.0002","10.5124","0.0004","16.554","0.0005","90","","90","","90","","1230.06","0.07","143","0.1","143","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl2 Cu N4 O -","- C6 H20 Cl2 Cu N4 O -","- C24 H80 Cl8 Cu4 N16 O4 -","4","1","","Fu, Chunyan; Lizhao, Junhong; Luo, Zhenghui; Wang, Tao; Grapperhaus, Craig A.; Ding, Xueqin; Kang, Y. James","Active uptake of hydrophilic copper complex Cu(ii)-TETA in primary cultures of neonatal rat cardiomyocytes.","Metallomics : integrated biometal science","2019","11","3","565","575","10.1039/c8mt00277k","","x-ray","0.71073","MoKα","","0.0364","0.0314","","","0.0651","0.0679","","","","","","1.039","","","","has coordinates","224654","2020-10-21","18:00:00",""
"1550936","26.0817","0.0016","20.662","0.0012","19.7728","0.0011","90","","125.502","0.002","90","","8674.6","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Br4 La N7 O5 -","- C42 H32 Br4 La N7 O5 -","- C336 H256 Br32 La8 N56 O40 -","8","1","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71076","MoKα","","0.0703","0.0405","","","0.0784","0.0889","","","","","","1.023","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550937","29.5503","0.0011","29.9584","0.0012","16.0497","0.0006","90","","90","","90","","14208.5","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Ho N5 O5 -","- C32 H24 Br4 Ho N5 O5 -","- C512 H384 Br64 Ho16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1372","0.0546","","","0.0767","0.0951","","","","","","1.037","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550938","29.587","0.003","29.91","0.003","15.986","0.0018","90","","90","","90","","14147","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Lu N5 O5 -","- C32 H24 Br4 Lu N5 O5 -","- C512 H384 Br64 Lu16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1374","0.0731","","","0.1615","0.1922","","","","","","1.082","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550939","13.5152","0.0007","17.1668","0.0008","16.0298","0.0008","90","","105.757","0.002","90","","3579.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Br4 Ho N5 O7 -","- C32 H24 Br4 Ho N5 O7 -","- C128 H96 Br16 Ho4 N20 O28 -","4","1","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71076","MoKα","","0.1234","0.0809","","","0.2148","0.2324","","","","","","1.15","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550940","9.7421","0.0004","16.9016","0.0006","25.0742","0.0009","72.958","0.001","85.719","0.001","74.795","0.001","3809.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 Br4 N5 O6 Sm -","- C31 H24 Br4 N5 O6 Sm -","- C124 H96 Br16 N20 O24 Sm4 -","4","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1039","0.0479","","","0.0897","0.1048","","","","","","1.022","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1551516","10.4181","0.0004","10.6411","0.0004","16.2688","0.0006","80.586","0.003","89.162","0.003","62.19","0.004","1569.83","0.12","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 N14 O S4 Zn2 -","- C23 H26 N14 O S4 Zn2 -","- C46 H52 N28 O2 S8 Zn4 -","2","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","x-ray","0.71073","MoKα","","0.0457","0.036","","","0.0968","0.1022","","","","","","1.055","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551517","20.581","0.006","13.879","0.004","16.592","0.005","90","","90","","90","","4739","2","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H58 N14 S4 Zn2 -","- C38 H58 N14 S4 Zn2 -","- C152 H232 N56 S16 Zn8 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0572","0.0367","","","0.0961","0.1079","","","","","","1.032","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551518","15.137","0.003","16.265","0.003","28.91","0.005","90","","90","","90","","7118","2","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C52 H72 N28 S8 Zn4 -","- C52 H72 N28 S8 Zn4 -","- C208 H288 N112 S32 Zn16 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0976","0.0615","","","0.1733","0.1975","","","","","","1.052","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551519","13.4772","0.0005","28.625","0.0008","14.2565","0.0005","90","","106.245","0.004","90","","5280.4","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 N14 S4 Zn2 -","- C38 H58 N14 S4 Zn2 -","- C152 H232 N56 S16 Zn8 -","4","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.7103","","","0.0936","0.061","","","0.1606","0.1861","","","","","","1.065","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551520","20.55","0.03","7.366","0.012","17.52","0.03","90","","105.71","0.03","90","","2553","7","296.15","","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23 H23 Cl2 N7 S2 Zn -","- C23 H21 Cl2 N7 S2 Zn -","- C92 H84 Cl8 N28 S8 Zn4 -","4","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0998","0.0517","","","0.1338","0.169","","","","","","0.973","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1552277","6.189","","12.221","","12.196","","86.03","","75.35","","79.55","","877.396","","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","1","1","","Bisceglie, Franco; Orsoni, Nicolò; Pioli, Marianna; Bonati, Beatrice; Tarasconi, Pieralberto; Rivetti, Claudio; Amidani, Davide; Montalbano, Serena; Buschini, Annamaria; Pelosi, Giorgio","Cytotoxic activity of copper(ii), nickel(ii) and platinum(ii) thiosemicarbazone derivatives: interaction with DNA and the H2A histone peptide.","Metallomics : integrated biometal science","2019","11","10","1729","1742","10.1039/c9mt00166b","","","0.71073","MoKα","","0.0357","0.0352","","","0.0798","0.08","","","","","","1.051","","","","has coordinates,has disorder","224650","2020-10-21","18:00:00",""
"1552755","13.5698","0.0013","29.244","0.003","16.5759","0.0017","90","","105.764","0.002","90","","6330.5","1.1","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 F6 Ir N6 O P2 Sb -","- C57 H52 F6 Ir N6 O P2 Sb -","- C228 H208 F24 Ir4 N24 O4 P8 Sb4 -","4","1","","Wang, Xiuxiu; Zhang, Jingyi; Zhao, Xinyang; Wei, Wei; Zhao, Jing","Imaging and proteomic study of a clickable iridium complex.","Metallomics : integrated biometal science","2019","11","8","1344","1352","10.1039/c9mt00134d","","","0.71073","MoKα","","0.1005","0.0684","","","0.1693","0.1825","","","","","","1.059","","","","has coordinates,has disorder","223392","2020-10-21","18:00:00",""