# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T06:13:10+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 'CHEM') AND volume = 10 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
"1572658","15.5504","0.0004","20.3269","0.0006","24.9693","0.0007","90","","96.155","0.002","90","","7847.1","0.4","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-pyrazine radical anion)-tetrakis(pentamethylcyclopentadienyl) -bis(tetrahydrofuran)-dysprosium(III) tetraphenylborate unknown solvate","","- C76 H100 B Dy2 N2 O2 -","- C76 H100 B Dy2 N2 O2 -","- C304 H400 B4 Dy8 N8 O8 -","4","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","","0.71073","MoKα","","0.0471","0.0404","","","0.0883","0.0923","","","","","","1.156","","","","has coordinates","294850","2024-09-21","20:13:12",""
"1572659","13.3406","0.0008","16.5532","0.0009","17.2872","0.0009","62.71","0.002","89.744","0.003","78.631","0.003","3309.8","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-pyrazine radical anion)-octakis(pentamethylcyclopentadienyl) -tetra-dysprosium(III) tetrahydrofuran solvate","","- C136 H216 Dy4 N8 O10 -","- C136 H216 Dy4 N8 O10 -","- C136 H216 Dy4 N8 O10 -","1","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","x-ray","1.34139","GaKα","","0.1298","0.0682","","","0.1697","0.2037","","","","","","1.041","","","","has coordinates,has disorder","294851","2024-09-21","20:13:29",""
"1572660","15.6446","0.001","20.4132","0.0013","24.9024","0.0015","90","","96.161","0.003","90","","7906.8","0.9","200","2","200","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","(μ-pyrazine radical anion)-tetrakis(pentamethylcyclopentadienyl) -bis(tetrahydrofuran)-gadoliniumium(III) tetraphenylborate unknown solvate","","- C76 H100 B Gd2 N2 O2 -","- C76 H100 B Gd2 N2 O2 -","- C304 H400 B4 Gd8 N8 O8 -","4","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","","0.71073","MoKα","","0.0644","0.0463","","","0.1019","0.1096","","","","","","1.129","","","","has coordinates","294852","2024-09-21","20:13:41",""
"1572661","13.2525","0.0006","16.5811","0.0007","17.3758","0.0007","62.586","0.002","89.513","0.002","78.844","0.002","3311.1","0.3","90","","90","","","","","","","","","5","P -1","-P 1","2","","tetrakis(μ-pyrazine radical anion)-octakis(pentamethylcyclopentadienyl) -tetra-gadolinium(III) tetrahydrofuran solvate","","- C136 H216 Gd4 N8 O10 -","- C136 H216 Gd4 N8 O10 -","- C136 H216 Gd4 N8 O10 -","1","0.5","","Bajaj, Neha; Mavragani, Niki; Kitos, Alexandros A.; Chartrand, Daniel; Maris, Thierry; Mansikkamäki, Akseli; Murugesu, Muralee","Hard single-molecule magnet behavior and strong magnetic coupling in pyrazinyl radical-bridged lanthanide metallocenes","CHEM","2024","10","","2484","2499","10.1016/j.chempr.2024.04.006","","x-ray","1.34139","GaKα","","0.1455","0.0634","","","0.1418","0.1696","","","","","","1.01","","","","has coordinates,has disorder","294853","2024-09-21","20:13:51",""