# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T22:55:56+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 = 12 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
"1552748","12.248","0.003","7.6422","0.0018","15.829","0.004","90","","104.923","0.004","90","","1431.6","0.6","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C20 H28 Br2 Cu2 N2 O14 S2 -","- C40 H56 Br4 Cu4 N4 O28 S4 -","2","0.5","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0401","0.0332","","","0.0865","0.0896","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:27",""
"1552749","15.5234","0.0007","19.2687","0.0005","19.1761","0.0008","90","","112.933","0.005","90","","5282.5","0.4","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 Br Co N3 O7 S -","- C24 H26 Br Co N3 O7 S -","- C192 H208 Br8 Co8 N24 O56 S8 -","8","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.0613","0.0428","","","0.0998","0.1103","","","","","","1.012","","","","has coordinates","301780","2025-08-18","21:43:27",""
"1552750","15.516","0.008","13.3471","0.0007","11.7999","0.0009","90","","100.625","0.019","90","","2401.8","1.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Br Cu N3 O6 S -","- C23 H22 Br Cu N3 O6 S -","- C92 H88 Br4 Cu4 N12 O24 S4 -","4","1","","Qin, Xiu-Ying; Wang, Ya-Nan; Liu, Han-Fu; Luo, Zhao-Hui; Zhang, Pei-Lu; Li-Fang, Huang; Liu, Mei-Rong","Anti-cancer activities of metal-based complexes by regulating the VEGF/VEGFR2 signaling pathway and apoptosis-related factors Bcl-2, Bax, and caspase-9 to inhibit angiogenesis and induce apoptosis.","Metallomics : integrated biometal science","2020","12","1","92","103","10.1039/c9mt00248k","","","0.71073","MoKα","","0.1061","0.0647","","","0.1543","0.182","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:27",""
"1552917","18.2211","0.001","18.9776","0.001","11.15","0.0006","90","","90","","90","","3855.6","0.4","200","1","200","1","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C34 H31 Au Cl4 F3 N4 O3 S3 -","- C136 H124 Au4 Cl16 F12 N16 O12 S12 -","4","1","","Yu, Bingqiong; Liu, Yanhong; Peng, Xian; Hua, Siyu; Zhou, Gangcheng; Yan, Kun; Liu, Yi","Synthesis, characterization, and antitumor properties of Au(i)-thiourea complexes.","Metallomics : integrated biometal science","2020","12","1","104","113","10.1039/c9mt00232d","","","0.71073","MoKα","","0.0401","0.0274","","","0.0712","0.0762","","","","","","1.033","","","","has coordinates","247764","2020-10-21","18:00:00",""
"1557725","7.7554","0.001","13.9099","0.0018","27.058","0.003","90","","92.8263","0.0019","90","","2915.4","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","SEH136 [H2MeThiazole][RuCl4(2MeThiazole)2]","","","- C10.67 H14 Cl4 N2.67 Ru S2.67 -","- C10.6667 H14 Cl4 N2.66667 Ru S2.66667 -","- C64 H84 Cl24 N16 Ru6 S16 -","6","1.5","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0401","0.0313","","","0.0656","0.0689","","","","","","1.026","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557726","8.0381","0.0003","8.1691","0.0003","8.3951","0.0003","85.2736","0.0016","71.5044","0.0015","61.7748","0.0014","459.11","0.03","100","2","100","2","","","","","","","","7","P 1","P 1","1","Webb/GKY-41 [HMeThia][RuCl4(dmso)(MeThia)]","","","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","- C10 H17 Cl4 N2 O Ru S3 -","1","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0179","0.0179","","","0.0494","0.0495","","","","","","1.059","","","","has coordinates","251676","2020-10-21","18:00:00",""
"1557727","10.805","0.0006","10.9929","0.0006","17.0331","0.001","90","","101.318","0.004","90","","1983.8","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","Webb/SF-53-17 [NH2thiazolium][RuCl4(DMSO)(NH2Thiazole)] from MeOH/Ether","","","- C9.44 H19.44 Cl4 N4 O1.78 Ru S3 -","- C9.4338 H19.432 Cl4 N4 O1.7822 Ru S3 -","- C37.7352 H77.728 Cl16 N16 O7.1288 Ru4 S12 -","4","1","","Huffman, Samantha E.; Yawson, Gideon K.; Fisher, Samuel S.; Bothwell, Paige J.; Platt, David C.; Jones, Marjorie A.; Hamaker, Christopher G.; Webb, Michael I.","Ruthenium(iii) complexes containing thiazole-based ligands that modulate amyloid-β aggregation.","Metallomics : integrated biometal science","2020","12","4","491","503","10.1039/d0mt00054j","","","0.71073","MoKα","","0.0339","0.0247","","","0.0541","0.058","","","","","","1.04","","","","has coordinates,has disorder","251676","2020-10-21","18:00:00",""
"1559689","12.151","0.007","13.362","0.008","16.11","0.01","111.747","0.01","92.86","0.01","113.294","0.009","2172","2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H56.67 Cu F2 N6 O13.34 -","- C38 H56.6666 Cu F2 N6 O13.3333 -","- C76 H113.333 Cu2 F4 N12 O26.6666 -","2","1","","Guo, Rui-Feng; Yan, Hou-Tian; Liu, Rui-Xue; Li, Hong-Chang; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Structural characterization and pharmacological assessment <i>in vitro</i>/<i>in vivo</i> of a new copper(II)-based derivative of enrofloxacin.","Metallomics : integrated biometal science","2020","12","12","2145","2160","10.1039/d0mt00155d","","","0.71073","MoKα","","0.1047","0.0576","","","0.1573","0.1893","","","","","","0.989","","","","has coordinates","260800","2021-01-07","06:43:45",""