# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:49:43+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 = 3 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
"1515693","11.8469","0.0007","8.7118","0.0005","28.9529","0.0017","90","","90","","90","","2988.2","0.3","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H36 N2 O12 Zn -","- C28 H36 N2 O12 Zn -","- C112 H144 N8 O48 Zn4 -","4","0.5","","Kawarada, Hikaru; Yoshikawa, Yutaka; Yasui, Hiroyuki; Kuwahara, Shunsuke; Habata, Yoichi; Saito, Ryota","Synthesis and in vitro insulin-mimetic activities of zinc(ii) complexes of ethyl 2,5-dihydro-4-hydroxy-5-oxo-1H-pyrrole-3-carboxylates.","Metallomics : integrated biometal science","2011","3","7","675","679","10.1039/c1mt00009h","","","0.71073","MoKα","","0.0483","0.0333","","","0.0889","0.1041","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515694","22.508","0.003","5.9232","0.0007","22.328","0.003","90","","101.252","0.005","90","","2919.5","0.7","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O Ru -","- C19 H15 N O Ru -","- C152 H120 N8 O8 Ru8 -","8","2","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1236","0.0833","","","0.1927","0.2236","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515695","17.4825","0.0005","7.342","0.0002","23.1152","0.0007","90","","90","","90","","2966.99","0.15","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H17 Fe N O -","- C20 H17 Fe N O -","- C160 H136 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.1399","0.0871","","","0.1426","0.166","","","","","","1.154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515696","30.9574","0.0011","16.257","0.0004","7.4078","0.0003","90","","101.757","0.002","90","","3649.9","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H14 Br Fe N O -","- C19 H14 Br Fe N O -","- C152 H112 Br8 Fe8 N8 O8 -","8","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.0891","0.0645","","","0.122","0.1326","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515697","6.0028","0.0002","21.513","0.0012","11.3488","0.0005","90","","93.01","0.003","90","","1463.54","0.11","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Fe N O -","- C19 H17 Fe N O -","- C76 H68 Fe4 N4 O4 -","4","1","","Spencer, John; Amin, Jahangir; Callear, Samantha K.; Tizzard, Graham J.; Coles, Simon J.; Coxhead, Peter; Guille, Matthew","Synthesis and evaluation of metallocene containing methylidene-1,3-dihydro-2H-indol-2-ones as kinase inhibitors.","Metallomics : integrated biometal science","2011","3","6","600","608","10.1039/c1mt00017a","","","0.71073","MoKα","","0.0711","0.0505","","","0.1147","0.1257","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515698","10.9976","0.0007","11.9803","0.0007","12.8925","0.0008","82.679","0.001","79.518","0.001","73.741","0.001","1598.22","0.17","296","2","296","2","","","","","","","synthesized new Ru(II) complex","6","P -1","-P 1","2","FAB 302","Ru(II)-monoarene-thiosemicarbazide complex","","- C28 H31 Cl2 N3 Ru S -","- C28 H31 Cl2 N3 Ru S -","- C56 H62 Cl4 N6 Ru2 S2 -","2","1","","Beckford, Floyd; Thessing, Jeffrey; Woods, Jason; Didion, Jacob; Gerasimchuk, Nikolay; Gonzalez-Sarrias, Antonio; Seeram, Navindra P.","Synthesis and structure of [(η(6)-p-cymene)Ru(2-anthracen-9-ylmethylene-N-ethylhydrazinecarbothioamide)Cl]Cl; biological evaluation, topoisomerase II inhibition and reaction with DNA and human serum albumin.","Metallomics : integrated biometal science","2011","3","5","491","502","10.1039/c1mt00003a","","","0.71073","MoKα","","0.0299","0.0247","","","0.0638","0.0659","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515699","25.792","0.003","8.6974","0.0009","21.213","0.002","90","","111.142","0.002","90","","4438.3","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 N8 O4 P Ru S2 -","- C44 H52 N8 O4 P Ru S2 -","- C176 H208 N32 O16 P4 Ru4 S8 -","4","1","","Prabhakaran, R.; Kalaivani, P.; Jayakumar, R.; Zeller, M.; Hunter, A. D.; Renukadevi, S. V.; Ramachandran, E.; Natarajan, K.","Synthesis, structure and biological evaluation of bis salicylaldehyde-4(N)-ethylthiosemicarbazone ruthenium(iii) triphenylphosphine.","Metallomics : integrated biometal science","2011","3","1","42","48","10.1039/c0mt00062k","","","0.71073","MoKα","","0.1212","0.0908","","","0.176","0.1875","","","","","","1.203","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515700","7.082","0.0002","15.9788","0.0003","13.7653","0.0003","90","","90.326","0.002","90","","1557.68","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Br N3 O -","- C16 H16 Br N3 O -","- C64 H64 Br4 N12 O4 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","0.71073","MoKα","","0.0317","0.0271","","","0.0664","0.0688","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515701","9.9811","0.0003","10.0794","0.0004","11.7361","0.0003","67.423","0.003","82.718","0.003","76.645","0.003","1059.77","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Br N2 O -","- C23 H25 Br N2 O -","- C46 H50 Br2 N4 O2 -","2","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0366","0.0349","","","0.1016","0.1032","","","","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515702","7.269","0.00004","12.62118","0.00006","23.4502","0.0001","90","","97.0346","0.0005","90","","2135.21","0.018","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Br N4 -","- C25 H21 Br N4 -","- C100 H84 Br4 N16 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0235","0.022","","","0.0593","0.0601","","","","","","1.061","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515703","4.40268","0.00004","16.737","0.0002","21.1545","0.0002","90","","91.612","0.001","90","","1558.21","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Ag Cl2 N3 O2 -","- C14 H12 Ag Cl2 N3 O2 -","- C56 H48 Ag4 Cl8 N12 O8 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0393","0.0384","","","0.0893","0.0897","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515704","15.3823","0.0001","7.83949","0.00007","19.8044","0.0002","90","","96.7996","0.0007","90","","2371.4","0.04","100","2","100","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C27 H23 Ag N4 O2 -","- C27 H23 Ag N4 O2 -","- C108 H92 Ag4 N16 O8 -","4","1","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0406","0.0377","","","0.1022","0.1048","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515705","23.9368","0.0007","9.5997","0.0002","25.2845","0.0007","90","","119.297","0.004","90","","5066.9","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H54 Ag2 N4 O4 -","- C62 H54 Ag2 N4 O4 -","- C248 H216 Ag8 N16 O16 -","4","0.5","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0273","0.0233","","","0.0551","0.0564","","","","","","1.069","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515706","11.7885","0.0003","47.3901","0.0008","7.8129","0.0002","90","","99.281","0.002","90","","4307.6","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Ag N2 O2 -","- C25 H25 Ag N2 O2 -","- C200 H200 Ag8 N16 O16 -","8","2","","Patil, Siddappa; Deally, Anthony; Gleeson, Brendan; Müller-Bunz, Helge; Paradisi, Francesca; Tacke, Matthias","Novel benzyl-substituted N-heterocyclic carbene-silver acetate complexes: synthesis, cytotoxicity and antibacterial studies.","Metallomics : integrated biometal science","2011","3","1","74","88","10.1039/c0mt00034e","","","1.54184","CuKα","","0.0533","0.0518","","","0.101","0.1015","","","","","","1.155","","","","has coordinates","176729","2020-10-21","18:00:00",""