# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T12:27:05+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 'Chemistry Central journal') 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
"1516835","11.6469","0.0004","12.2824","0.0004","14.1122","0.0004","82.427","0.002","72.489","0.002","84.915","0.002","1905.87","0.11","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H48 Cl4 N8 O12 Pb4 S4 -","- C76 H48 Cl4 N8 O12 Pb4 S4 -","- C76 H48 Cl4 N8 O12 Pb4 S4 -","1","0.5","","Jennifer, Samson; Thomas Muthiah, Packianathan","Syntheses and characterization of two novel tetranuclear lead(II) clusters self-assembled by hydrogen bonded interactions","Chemistry Central Journal","2014","8","1","39","","10.1186/1752-153X-8-39","","","0.71073","MoKα","","0.0804","0.0381","","","0.0878","0.1054","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516836","11.5185","0.0002","12.225","0.0002","14.7743","0.0002","81.913","0.001","72.349","0.001","84.455","0.001","1959.55","0.05","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H48 Cl4 N8 O12 Pb4 S4 -","- C80 H48 Cl4 N8 O12 Pb4 S4 -","- C80 H48 Cl4 N8 O12 Pb4 S4 -","1","0.5","","Jennifer, Samson; Thomas Muthiah, Packianathan","Syntheses and characterization of two novel tetranuclear lead(II) clusters self-assembled by hydrogen bonded interactions","Chemistry Central Journal","2014","8","1","39","","10.1186/1752-153X-8-39","","","0.71073","MoKα","","0.0299","0.0232","","","0.0586","0.0618","","","","","","1.179","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517291","8.6712","0.0003","10.3617","0.0004","12.286","0.0004","95.336","0.002","96.851","0.002","107.63","0.002","1034.75","0.07","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H14 Cl Cu N3 O9 S -","- C17 H14 Cl Cu N3 O9 S -","- C34 H28 Cl2 Cu2 N6 O18 S2 -","2","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0427","0.0331","","","0.0837","0.0885","","","","","","1.04","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517292","23.8658","0.0004","16.6525","0.0004","11.3381","0.0002","90","","99.994","0.001","90","","4437.67","0.15","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cl2 Cu N2 O5 S2 -","- C20 H14 Cl2 Cu N2 O5 S2 -","- C160 H112 Cl16 Cu8 N16 O40 S16 -","8","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0567","0.0335","","","0.0807","0.0919","","","","","","1.003","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517293","14.9443","0.0002","15.1728","0.0002","15.3055","0.0002","111.948","0.001","116.673","0.001","97.606","0.001","2681.16","0.08","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H18 Cl2 Cu N4 O6 S -","- C25 H18 Cl2 Cu N4 O6 S -","- C100 H72 Cl8 Cu4 N16 O24 S4 -","4","2","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0885","0.0644","","","0.1942","0.2156","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517294","13.4364","0.0003","10.4855","0.0003","20.039","0.0004","90","","123.741","0.001","90","","2347.69","0.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl2 Cu N2 O5 S2 -","- C22 H14 Cl2 Cu N2 O5 S2 -","- C88 H56 Cl8 Cu4 N8 O20 S8 -","4","1","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.061","0.0375","","","0.093","0.106","","","","","","1.02","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517295","19.1486","0.0009","8.1694","0.0003","19.1208","0.0008","90","","102.385","0.004","90","","2921.5","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cu2 N4 O16 P4 -","- C20 H24 Cu2 N4 O16 P4 -","- C80 H96 Cu8 N16 O64 P16 -","4","0.5","","Jennifer, Samson Jegan; Muthiah, Packianathan Thomas","Synthesis, crystal structures and supramolecular architectures of square pyramidal Cu(II) complexes containing aromatic chelating N,N'-donor ligands","Chemistry Central Journal","2014","8","1","42","","10.1186/1752-153X-8-42","","","0.71073","MoKα","","0.0532","0.0339","","","0.0869","0.109","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518513","8.61","0.004","12.78","0.005","20.458","0.008","90","","101.72","0.03","90","","2204.2","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriboIV","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C112 H88 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0891","0.0429","","","0.0835","0.0913","","","","","","0.809","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518514","14.384","0.0001","8.214","0.0005","17.365","0.0009","90","","105.53","0.003","90","","1976.77","0.16","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TriboII","","","- C25 H18 N2 O2 -","- C25 H18 N2 O2 -","- C100 H72 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0804","0.041","","","0.1138","0.1482","","","","","","0.491","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518515","10.07","0.03","23.91","0.05","9.5","0.05","90","","110.38","0.18","90","","2144","14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TriboIIIa","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C108 H80 N8 O8 -","4","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.2359","0.089","","","0.2072","0.245","","","","","","0.727","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518516","20.349","0.002","10.095","0.002","21.338","0.002","90","","99.06","0.018","90","","4328.6","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","TriboIIIb","","","- C27 H20 N2 O2 -","- C27 H20 N2 O2 -","- C216 H160 N16 O16 -","8","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.1348","0.0616","","","0.1593","0.2199","","","","","","0.594","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518517","10.352","0.0004","7.212","0.0001","13.32","0.0009","90","","110.332","0.002","90","","932.49","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","TriboI","","","- C23 H16 N2 O2 -","- C23 H16 N2 O2 -","- C46 H32 N4 O4 -","2","1","","Asiri, Abdullah M.; Heller, Harry G.; Hughes, David S.; Hursthouse, Michael B.; Kendrick, John; Leusen, Frank Jj; Montis, Riccardo","A mechanophysical phase transition provides a dramatic example of colour polymorphism: the tribochromism of a substituted tri(methylene)tetrahydrofuran-2-one.","Chemistry Central journal","2014","8","1","70","","10.1186/s13065-014-0070-3","","","0.71069","MoKα","","0.0587","0.0423","","","0.1264","0.1431","","","","","","0.485","","","","has coordinates","176729","2020-10-21","18:00:00",""