# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-09T08:59:14+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 'Metallomics : integrated biometal science') AND volume = 6 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
"1513737","22.486","0.0007","16.5586","0.0005","28.6689","0.0011","90","","90","","90","","10674.5","0.6","90","0.1","90","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C57 H48 N8 O9 S4 Zn2 -","- C57 H48 N8 O9 S4 Zn2 -","- C456 H384 N64 O72 S32 Zn16 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1322","0.0851","","","0.224","0.2581","","","","","","1.079","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513738","7.1289","0.0009","7.1436","0.001","13.037","0.002","82.538","0.004","83.524","0.004","61.968","0.004","580.05","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N2 O3 -","- C14 H12 N2 O3 -","- C28 H24 N4 O6 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0694","0.0435","","","0.0951","0.1063","","","","","","1.01","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513739","7.5968","0.0002","8.3252","0.0002","11.0399","0.0003","97.196","0.002","108.876","0.002","110.229","0.002","597.4","0.03","90","0.1","90","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C26 H22 N6 O4 S2 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0675","0.0528","","","0.1341","0.1432","","","","","","0.991","","","","has coordinates,has disorder","301776","2025-08-18","14:47:44",""
"1513740","8.805","0.0008","18.3583","0.0016","9.8145","0.0008","90","","92.016","0.005","90","","1585.5","0.2","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0935","0.0427","","","0.0899","0.11","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513741","12.1889","0.0005","8.9564","0.0004","20.1062","0.0009","90","","90","","90","","2194.97","0.17","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.052","0.0382","","","0.0942","0.1022","","","","","","1.019","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513742","12.0704","0.0006","8.6513","0.0004","14.245","0.0007","90","","107.286","0.001","90","","1420.34","0.12","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0443","0.0343","","","0.0868","0.093","","","","","","1.028","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513743","12.37","0.004","12.679","0.004","13.471","0.004","62.131","0.007","86.789","0.009","84.702","0.008","1859.6","1","90","0.2","90","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H33 Cu1.5 N6 O6 S3 -","- C42 H33 Cu1.5 N6 O6 S3 -","- C84 H66 Cu3 N12 O12 S6 -","2","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","1.54178","CuKα","","0.1338","0.0902","","","0.2456","0.3037","","","","","","1.08","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513744","15.7028","0.0018","25.796","0.003","24.222","0.003","90","","99.532","0.003","90","","9676","2","90","0.1","90","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Fe N7 O7 S3 -","- C43.986 H37.992 Fe N6.998 O7 S2.998 -","- C351.888 H303.936 Fe8 N55.984 O56 S23.984 -","8","1","","Telpoukhovskaia, Maria A.; Rodríguez-Rodríguez, Cristina; Cawthray, Jacqueline F.; Scott, Lauren E.; Page, Brent D. G.; Alí-Torres, Jorge; Sodupe, Mariona; Bailey, Gwendolyn A.; Patrick, Brian O.; Orvig, Chris","3-Hydroxy-4-pyridinone derivatives as metal ion and amyloid binding agents.","Metallomics : integrated biometal science","2014","6","2","249","262","10.1039/c3mt00135k","","","0.71073","MoKα","","0.0874","0.0675","","","0.178","0.1876","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514751","12.9199","0.0009","15.8918","0.0008","20.2181","0.0011","90","","95.307","0.002","90","","4133.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H41 F12 N7 O0 P2 -","- C39 H41 F12 N7 P2 -","- C156 H164 F48 N28 P8 -","4","1","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.1126","0.0727","","","0.1815","0.2048","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514753","17.9559","0.0007","18.8882","0.0007","17.9394","0.0007","90","","90","","90","","6084.2","0.4","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C30 H34 Ag F6 N5 P -","- C30 H34 Ag F6 N5 P -","- C240 H272 Ag8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0504","0.0474","","","0.1359","0.1423","","","","","","1.132","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1514758","18.7883","0.001","17.8671","0.0008","18.1775","0.0007","90","","90","","90","","6102","0.5","150","2","150","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C30 H35 Au F6 N5 O0 P -","- C30 H35 Au F6 N5 P -","- C240 H280 Au8 F48 N40 P8 -","8","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0616","0.0547","","","0.1377","0.1432","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514760","8.66","0.0005","19.8775","0.001","11.7276","0.0005","90","","130.999","0.003","90","","1523.62","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 F12 N4 P2 -","- C28 H34 F12 N4 P2 -","- C56 H68 F24 N8 P4 -","2","0.5","","Li, Yi; Liu, Gao-Feng; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Antitumor properties and mechanisms of mitochondria-targeted Ag(i) and Au(i) complexes containing N-heterocyclic carbenes derived from cyclophanes.","Metallomics : integrated biometal science","2014","6","8","1460","1468","10.1039/c4mt00046c","","","0.71073","MoKα","","0.0683","0.0535","","","0.1428","0.1537","","","","","","1.05","","","","has coordinates","301776","2025-08-18","14:47:47",""
"1517344","7.9513","0.0004","10.1551","0.0005","11.4377","0.0005","103.368","0.001","96.21","0.001","100.246","0.001","873.38","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H22 Cl Cu N3 O2 -","- C17 H22 Cl Cu N3 O2 -","- C34 H44 Cl2 Cu2 N6 O4 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0534","0.0515","","","0.1601","0.1622","","","","","","1.115","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517345","10.9272","0.001","11.816","0.0011","18.887","0.002","73.759","0.001","81.897","0.001","72.621","0.001","2230","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H100 Cl6 Cu3 N12 O10 -","- C86 H100 Cl6 Cu3 N12 O10 -","- C86 H100 Cl6 Cu3 N12 O10 -","1","0.5","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0586","0.0478","","","0.1168","0.1233","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517346","17.2957","0.0012","6.6675","0.0005","18.3318","0.0009","90","","119.727","0.005","90","","1835.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Cu N4 O4 -","- C20 H20 Cu N4 O4 -","- C80 H80 Cu4 N16 O16 -","4","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0713","0.0414","","","0.1044","0.1199","","","","","","1.001","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517347","11.893","0.009","21.582","0.009","12.732","0.005","90","","92.466","0.009","90","","3265","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 Cl2 Cu2 N6 O12 -","- C25 H34 Cl2 Cu2 N6 O12 -","- C100 H136 Cl8 Cu8 N24 O48 -","4","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.71069","MoKα","","0.17","0.0626","","","0.1175","0.1479","","","","","","1.004","","","","has coordinates,has disorder","301776","2025-08-18","14:47:51",""
"1517348","7.629","0.003","13.448","0.004","17.723","0.005","110.693","0.004","97.801","0.004","94.246","0.004","1670.6","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H32 Cl2 Cu2 N6 O11 -","- C31 H32 Cl2 Cu2 N6 O11 -","- C62 H64 Cl4 Cu4 N12 O22 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.7749","synchrotron","","0.0874","0.0721","","","0.2024","0.2123","","","","","","1.098","","","","has coordinates","301776","2025-08-18","14:47:51",""
"1517349","15.8661","0.0005","15.9224","0.0005","26.4434","0.0009","76.076","0.001","87.396","0.001","68.366","0.001","6020.3","0.3","190","2","190","2","","","","","","","","5","P -1","-P 1","2","","","","- C93 H125 Cu8 N31 O43 -","- C89 H87 Cu8 N31 O39 -","- C178 H174 Cu16 N62 O78 -","2","1","","Brissos, Rosa F.; Torrents, Ester; Mariana Dos Santos Mello, Francyelli; Carvalho Pires, Wanessa; de Paula Silveira-Lacerda, Elisângela; Caballero, Ana B.; Caubet, Amparo; Massera, Chiara; Roubeau, Olivier; Teat, Simon J.; Gamez, Patrick","Highly cytotoxic DNA-interacting copper(ii) coordination compounds.","Metallomics : integrated biometal science","2014","6","10","1853","1868","10.1039/c4mt00152d","","","0.71073","MoKα","","0.0652","0.0445","","","0.1316","0.14","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517414","27.1414","0.0005","27.1414","0.0005","7.5825","0.0004","90","","90","","90","","5585.7","0.3","293","2","293","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C27 H18 Cl N5 O2.25 Ru -","- C27 H19 Cl N5 O2.25 Ru -","- C216 H152 Cl8 N40 O18 Ru8 -","8","1","","Wu, Qiong; He, Jiangtu; Mei, Wenjie; Zhang, Zhao; Wu, Xiaohui; Sun, Fenyong","Arene ruthenium(ii) complex, a potent inhibitor against proliferation, migration and invasion of breast cancer cells, reduces stress fibers, focal adhesions and invadopodia.","Metallomics : integrated biometal science","2014","6","12","2204","2212","10.1039/c4mt00158c","","","0.71073","MoKα","","0.0856","0.065","","","0.1963","0.2121","","","","","","1.123","","","","has coordinates","176729","2020-10-21","18:00:00",""