# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-09-28T00:44:59+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 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
"1501635","10.0693","0.0007","13.9976","0.0007","16.2481","0.0008","90","","90","","90","","2290.1","0.2","295","","295","","","","","","","","Synthesized by the authors. See text","3","A b a 2","A 2 -2ab","41","","","","- C25 H12 Br4 -","- C25 H12 Br4 -","- C100 H48 Br16 -","4","","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0433","0.0424","","","0.1009","0.1011","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501636","13.5519","0.0002","13.5519","0.0002","10.7761","0.0004","90","","90","","90","","1979.07","0.08","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 42/n :2","-P 4bc","86","","","","- C29 H16 Br16 -","- C29 H16 Br16 -","- C58 H32 Br32 -","2","0.25","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0262","0.0262","","","0.0672","0.0672","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501637","19.2957","0.001","13.8813","0.0008","20.0269","0.001","90","","94.857","0.002","90","","5344.9","0.5","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 Br6 -","- C27 H18 Br6 -","- C216 H144 Br48 -","8","2","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0477","0.0427","","","0.1076","0.1119","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501638","10.384","0.0004","17.969","0.0007","11.188","0.0003","90","","90.38","0.002","90","","2087.52","0.13","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Br2 -","- C26 H18 Br2 -","- C104 H72 Br8 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","0.71073","MoKα","","0.0788","0.0432","","","0.0942","0.1138","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501639","10.4523","0.0002","17.8465","0.0003","11.039","0.0002","90","","90.004","0.001","90","","2059.18","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Br -","- C27 H21 Br -","- C108 H84 Br4 -","4","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0339","0.0332","","","0.0897","0.0905","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501640","17.865","0.003","19.788","0.003","16.886","0.005","90","","112.641","0.018","90","","5509","2","295","2","295","2","","","","","","","Synthesized by the authors. See text","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br4 Cl2 N4 -","- C26 H18 Br4 Cl2 N4 -","- C208 H144 Br32 Cl16 N32 -","8","1","","Ulrich Darbost; Janie Cabana; Eric Demers; Thierry Maris; James D. Wuest","Molecular Tectonics. Use of Br...aryl Supramolecular Interactions for the construction of Organized Networks from 9,9'-spirobifluorene in the Crystalline State.","CheM","2011","1","","52","12369","10.5618/chem.2011.v1.n1.7","","","1.54178","CuKα","","0.0717","0.0653","","","0.1925","0.2004","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"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",""