# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-07-29T07:45:21+02:00
# 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 'Med. Chem. Commun.') AND volume = 8 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
"7119187","8.9464","0.0009","12.8728","0.0011","9.7816","0.0007","90","","95.947","0.008","90","","1120.44","0.17","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 S -","- C11 H10 N4 S -","- C44 H40 N16 S4 -","4","1","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.0492","0.0393","","","0.1026","0.11","","","","","","1.064","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119188","21.752","0.003","10.0815","0.0009","13.905","0.002","90","","124.39","0.02","90","","2516.3","0.8","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl2 Co N8 O4 -","- C22 H24 Cl2 Co N8 O4 -","- C88 H96 Cl8 Co4 N32 O16 -","4","0.5","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.055","0.0415","","","0.0951","0.1034","","","","","","1.052","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119189","10.3016","0.0006","10.5421","0.0007","14.5516","0.001","80.662","0.006","89.829","0.005","65.733","0.006","1418.01","0.18","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl Co N8 O5 S3 -","- C24 H18 Cl Co N8 O5 S3 -","- C48 H36 Cl2 Co2 N16 O10 S6 -","2","1","","Todorović, Tamara R.; Vukašinović, Jelena; Portalone, Gustavo; Suleiman, Sherif; Gligorijević, Nevenka; Bjelogrlić, Snezana; Jovanović, Katarina; Radulović, Siniša; Anđelković, Katarina; Cassar, Analisse; Filipović, Nenad R.; Schembri-Wismayer, Pierre","(Chalcogen)semicarbazones and their cobalt complexes differentiate HL-60 myeloid leukaemia cells and are cytotoxic towards tumor cell lines","Med. Chem. Commun.","2017","8","1","103","","10.1039/C6MD00501B","","","0.710689","MoKα","","0.0617","0.0459","","","0.1161","0.1263","","","","","","1.031","","","","has coordinates","191693","2020-10-21","18:00:00",""
"7119190","6.1848","0.0002","13.6417","0.0003","27.9922","0.0007","90","","90","","90","","2361.74","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 F3 N4 O3 -","- C26 H25 F3 N4 O3 -","- C104 H100 F12 N16 O12 -","4","1","","Pettersson, Martin; Johnson, Douglas S.; Rankic, Danica A.; Kauffman, Gregory W.; am Ende, Christopher W.; Butler, Todd W.; Boscoe, Brian; Evrard, Edelweiss; Helal, Christopher J.; Humphrey, John M.; Stepan, Antonia F.; Stiff, Cory M.; Yang, Eddie; Xie, Longfei; Bales, Kelly R.; Hajos-Korcsok, Eva; Jenkinson, Stephen; Pettersen, Betty; Pustilnik, Leslie R.; Ramirez, David S.; Steyn, Stefanus J.; Wood, Kathleen M.; Verhoest, Patrick R.","Discovery of cyclopropyl chromane-derived pyridopyrazine-1,6-dione γ-secretase modulators with robust central efficacy","Med. Chem. Commun.","2017","8","4","730","","10.1039/C6MD00406G","","","1.54178","CuKα","","0.0476","0.0444","","","0.1073","0.1101","","","","","","1.068","","","","has coordinates,has disorder","301857","2025-08-21","22:47:33",""
"7119191","11.2699","0.0009","17.6804","0.0014","14.9326","0.0012","90","","109.088","0.003","90","","2811.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Ga I N4 O4 -","- C26 H36 Ga I N4 O4 -","- C104 H144 Ga4 I4 N16 O16 -","4","1","","Sivapackiam, Jothilingam; Harpstrite, Scott E.; Rath, Nigam P.; Sharma, Vijay","67Ga-metalloprobes: monitoring the impact of geometrical isomers on accumulation profiles in rat cardiomyoblasts and human breast carcinoma cells","Med. Chem. Commun.","2017","8","1","158","","10.1039/C6MD00474A","","","0.71073","MoKα","","0.0309","0.0228","","","0.0505","0.0534","","","","","","1.029","","","","has coordinates,has disorder","191692","2020-10-21","18:00:00",""
"7119580","10.5841","0.0002","29.3409","0.0006","22.5449","0.0006","90","","114.077","0.002","90","","6392.1","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Fe(III) complex 1","","","- C20 H12 Cl5 Fe N2 O2 -","- C20 H12 Cl5 Fe N2 O2 -","- C240 H144 Cl60 Fe12 N24 O24 -","12","3","","Zou, Bi-Qun; Qin, Qi-Pin; Bai, Yu-Xia; Cao, Qian-Qian; Zhang, Ye; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Synthesis and antitumor mechanism of a new iron(iii) complex with 5,7-dichloro-2-methyl-8-quinolinol as ligands","Med. Chem. Commun.","2017","8","3","633","","10.1039/C6MD00644B","","x-ray","0.71073","MoKα","","0.0676","0.0411","","","0.0841","0.0949","","","","","","1.034","","","","has coordinates","195145","2020-10-21","18:00:00",""