# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-06T14:09:09+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 'European Journal of Medicinal Chemistry') AND volume = 85 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
"3000018","14.9135","0.0008","8.5203","0.0005","17.769","0.001","90","","111.617","0.001","90","","2099.1","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Mn N16 O14 -","- C28 H44 Cl2 Mn N16 O14 -","- C56 H88 Cl4 Mn2 N32 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0415","0.0374","","","0.1067","0.1097","","","","","","1.076","","","","has coordinates,has Fobs","301810","2025-08-19","19:21:35",""
"3000019","14.8776","0.0011","8.5567","0.0006","17.669","0.0013","90","","111.748","0.001","90","","2089.2","0.3","570","2","570","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Fe N16 O14 -","- C28 H44 Cl2 Fe N16 O14 -","- C56 H88 Cl4 Fe2 N32 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0417","0.037","","","0.1054","0.109","","","","","","1.092","","","","has coordinates,has Fobs","301810","2025-08-19","19:21:35",""
"3000020","14.8283","0.0008","8.5796","0.0005","17.6281","0.001","90","","111.957","0.001","90","","2080","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 Co N16 O14 -","- C28 H44 Cl2 Co N16 O14 -","- C56 H88 Cl4 Co2 N32 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0393","0.0355","","","0.1021","0.105","","","","","","1.067","","","","has coordinates,has Fobs","301810","2025-08-19","19:21:35",""
"3000021","14.8078","0.0008","8.6073","0.0005","17.5587","0.001","90","","112.121","0.001","90","","2073.2","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N16 Ni O14 -","- C28 H44 Cl2 N16 Ni O14 -","- C56 H88 Cl4 N32 Ni2 O28 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0387","0.0354","","","0.1027","0.1056","","","","","","1.029","","","","has coordinates,has Fobs","301810","2025-08-19","19:21:35",""
"3000022","8.6399","0.0009","11.9756","0.0012","19.1916","0.0018","90","","90.352","0.001","90","","1985.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl2 Cu N16 O12 -","- C28 H40 Cl2 Cu N16 O12 -","- C56 H80 Cl4 Cu2 N32 O24 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0773","0.0514","","","0.1257","0.1403","","","","","","0.999","","","","has coordinates,has Fobs","301810","2025-08-19","19:21:35",""
"3000023","14.83","0.002","8.5741","0.0012","17.618","0.002","90","","111.98","0.002","90","","2077.4","0.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H44 Cl2 N16 O14 Zn -","- C28 H44 Cl2 N16 O14 Zn -","- C56 H88 Cl4 N32 O28 Zn2 -","2","0.5","","Ana B. Caballero; Antonio Rodríguez Diéguez; Miguel Quirós; Juan M. Salas; Óscar Huertas; Inmaculada Ramírez Macías; Francisco Olmo; Clotilde Marín; Guillermo Chaves-Lemaur; Ramón Gutiérrez Sánchez; Manuel Sánchez-Moreno","Triazolopyrimidine Compounds Containing First-Row Transition Metals and their Activity against the Neglected Infectious Chagas Disease and Leishmaniasis","European Journal of Medicinal Chemistry","2014","85","","526","534","10.1016/j.ejmech.2014.08.26","","","0.71073","MoKα","","0.0746","0.0519","","","0.1398","0.1685","","","","","","1.029","","","","has coordinates,has Fobs","301810","2025-08-19","19:21:35",""