# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T03:50:12+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 = 4 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
"1515289","9.333","0.003","10.316","0.003","15.611","0.004","93.677","0.005","90.998","0.005","95.767","0.005","1491.9","0.8","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H30 Cl2 N3 Ni O2 P S -","- C29 H30 Cl2 N3 Ni O2 P S -","- C58 H60 Cl4 N6 Ni2 O4 P2 S2 -","2","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0927","0.0507","","","0.1209","0.1321","","","","","","0.892","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515290","7.7387","0.0005","24.7405","0.0018","27.364","0.002","90","","90","","90","","5239.1","0.6","296","2","296","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C27 H23 Cl N3 O P Pd S -","- C27 H23 Cl N3 O P Pd S -","- C216 H184 Cl8 N24 O8 P8 Pd8 S8 -","8","1","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.0595","0.0329","","","0.062","0.0714","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515291","8.4072","0.0003","16.1292","0.0006","20.8979","0.0007","80.612","0.002","88.34","0.002","87.39","0.002","2792.26","0.17","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C27.5 H25 As Cl N3 O1.5 Pd S -","- C27.5 H25 As Cl N3 O1.5 Pd S -","- C110 H100 As4 Cl4 N12 O6 Pd4 S4 -","4","2","","Ramachandran, Eswaran; Kalaivani, Palaniappan; Prabhakaran, Rathinasabapathi; Rath, Nigam P.; Brinda, Selvaraj; Poornima, Paramasivan; Padma, Viswanatha Vijaya; Natarajan, Karuppannan","Synthesis, X-ray crystal structure, DNA binding, antioxidant and cytotoxicity studies of Ni(ii) and Pd(ii) thiosemicarbazone complexes.","Metallomics : integrated biometal science","2012","4","2","218","227","10.1039/c1mt00143d","","","0.71073","MoKα","","0.1425","0.0597","","","0.1168","0.1502","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515292","11.5473","0.0002","18.9633","0.0003","16.926","0.0003","90","","98.798","0.002","90","","3662.76","0.11","130","2","130.1","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H35 Ag O3 P2 -","- C43 H35 Ag O3 P2 -","- C172 H140 Ag4 O12 P8 -","4","2","","Banti, C. N.; Giannoulis, A. D.; Kourkoumelis, N.; Owczarzak, A. M.; Poyraz, M.; Kubicki, M.; Charalabopoulos, K.; Hadjikakou, S. K.","Mixed ligand-silver(I) complexes with anti-inflammatory agents which can bind to lipoxygenase and calf-thymus DNA, modulating their function and inducing apoptosis.","Metallomics : integrated biometal science","2012","4","6","545","560","10.1039/c2mt20039b","","","1.5418","CuKα","","0.0911","0.0862","","","0.2447","0.2486","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515293","12.9853","0.0006","14.4886","0.0006","20.9329","0.0009","90","","105.248","0.001","90","","3799.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 Cl3 Fe N2 O S -","- C17 H15 Cl3 Fe N2 O S -","- C136 H120 Cl24 Fe8 N16 O8 S8 -","8","2","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy","Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity.","Metallomics : integrated biometal science","2012","4","5","498","511","10.1039/c2mt00004k","","","0.71075","MoKα","","0.0315","0.0284","","","0.0729","0.0748","","","","","","0.977","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515294","13.766","0.002","17.839","0.003","20.779","0.003","90","","119.372","0.003","90","","4446.8","1.2","223","2","223","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H43 Cu Fe N2 O P2 S -","- C52 H43 Cu Fe N2 O P2 S -","- C208 H172 Cu4 Fe4 N8 O4 P8 S4 -","4","1","","Sathyadevi, Palanisamy; Krishnamoorthy, Paramasivam; Butorac, Rachel R.; Cowley, Alan H.; Dharmaraj, Nallasamy","Synthesis of novel heterobimetallic copper(I) hydrazone Schiff base complexes: a comparative study on the effect of heterocyclic hydrazides towards interaction with DNA/protein, free radical scavenging and cytotoxicity.","Metallomics : integrated biometal science","2012","4","5","498","511","10.1039/c2mt00004k","","","0.71073","MoKα","","0.067","0.0453","","","0.1017","0.1142","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515295","12.4564","0.0003","8.7526","0.0002","14.9349","0.0004","90","","96.602","0.002","90","","1617.49","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 Cl2 Cu N5 O -","- C13 H17 Cl2 Cu N5 O -","- C52 H68 Cl8 Cu4 N20 O4 -","4","1","","Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim","Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation.","Metallomics : integrated biometal science","2012","4","9","910","920","10.1039/c2mt20113e","","","0.71073","MoKα","","0.0685","0.0506","","0.0925","0.0501","0.0443","","","","","","1.137","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1515296","7.1753","0.0003","9.9395","0.0004","11.0467","0.0005","75.271","0.003","74.091","0.003","80.029","0.003","728.22","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H10 N6 O9 Zn -","- C9 H10 N6 O9 Zn -","- C18 H20 N12 O18 Zn2 -","2","1","","Jones, Michael R.; Service, Erin L.; Thompson, John R.; Wang, Michael C. P.; Kimsey, Isaac J.; DeToma, Alaina S.; Ramamoorthy, Ayyalusamy; Lim, Mi Hee; Storr, Tim","Dual-function triazole-pyridine derivatives as inhibitors of metal-induced amyloid-β aggregation.","Metallomics : integrated biometal science","2012","4","9","910","920","10.1039/c2mt20113e","","","0.71073","MoKα","","0.0444","0.0314","","0.0456","0.0316","0.0315","","","","","","1.1068","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515297","10.8935","0.0002","14.4989","0.0002","15.1823","0.0003","90","","90","","90","","2397.95","0.07","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H32 Cl4 N2 O4 Pt -","- C18 H32 Cl4 N2 O4 Pt -","- C72 H128 Cl16 N8 O16 Pt4 -","4","1","","Kaluđerović, Goran N; Mijatović, Sanja A; Zmejkovski, Bojana B.; Bulatović, Mirna Z; Gómez-Ruiz, Santiago; Mojić, Marija K; Steinborn, Dirk; Miljković, Djordje M; Schmidt, Harry; Stošić-Grujičić, Stanislava D; Sabo, Tibor J.; Maksimović-Ivanić, Danijela D","Platinum(II/IV) complexes containing ethylenediamine-N,N'-di-2/3-propionate ester ligands induced caspase-dependent apoptosis in cisplatin-resistant colon cancer cells.","Metallomics : integrated biometal science","2012","4","9","979","987","10.1039/c2mt20058a","","","0.71073","MoKα","","0.0521","0.0397","","","0.0801","0.0824","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515298","9.659","0.0002","11.2079","0.0003","27.4126","0.0007","90","","90","","90","","2967.61","0.13","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C31 H33 N4 O P Pd S -","- C31 H33 N4 O P Pd S -","- C124 H132 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1336","0.0484","","","0.0649","0.0842","","","","","","0.859","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515299","9.6836","0.0002","11.1912","0.0002","27.4533","0.0005","90","","90","","90","","2975.14","0.1","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N4 O P Pd S -","- C30 H31 N4 O2 P Pd S -","- C120 H124 N16 O8 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.093","0.0513","","","0.065","0.0716","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515300","9.8285","0.0002","11.3287","0.0002","27.6805","0.0007","90","","90","","90","","3082.06","0.11","293","2","293","2","","","","","","","synthesis as described","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H35 N4 O P Pd S -","- C32 H35 N4 O P Pd S -","- C128 H140 N16 O4 P4 Pd4 S4 -","4","1","","Kalaivani, P.; Prabhakaran, R.; Dallemer, F.; Poornima, P.; Vaishnavi, E.; Ramachandran, E.; Padma, V. Vijaya; Renganathan, R.; Natarajan, K.","DNA, protein binding, cytotoxicity, cellular uptake and antibacterial activities of new palladium(II) complexes of thiosemicarbazone ligands: effects of substitution on biological activity.","Metallomics : integrated biometal science","2012","4","1","101","113","10.1039/c1mt00144b","","x-ray","0.71073","MoKα","","0.1061","0.043","","","0.0647","0.0756","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""