# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T19:58:28+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 'New Journal of Chemistry') AND volume = 23 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
"7051429","7.853","0.001","15.937","0.001","9.993","0.001","90","","95.65","0.01","90","","1244.6","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 N O4 S Zn -","- C11 H7 N O4 S Zn -","- C44 H28 N4 O16 S4 Zn4 -","4","1","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","0.025","","","0.065","","","","","","","","","","","has coordinates","198588","2020-10-21","18:00:00",""
"7051430","8.595","0.003","9.491","0.003","12.748","0.006","69.31","0.03","85.99","0.03","67.59","0.02","896.9","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 N2 O6.5 S Zn -","- C16 H15 N2 O6.5 S Zn -","- C32 H30 N4 O13 S2 Zn2 -","2","1","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","","","","","","","","","","","","","","","has coordinates","198589","2020-10-21","18:00:00",""
"7051431","10.977","0.002","15.558","0.002","11.376","0.003","90","","116.36","0.03","90","","1740.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 N2 O5 S Zn -","- C18 H12 N2 O5 S Zn -","- C72 H48 N8 O20 S4 Zn4 -","4","1","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","0.0235","","","0.0646","","","","","","","","","","","has coordinates","198588","2020-10-21","18:00:00",""
"7051432","10.917","0.002","15.711","0.002","11.33","0.002","90","","116.01","0.03","90","","1746.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Co N2 O5 S -","- C18 H12 Co N2 O5 S -","- C72 H48 Co4 N8 O20 S4 -","4","1","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","0.0419","","","0.0865","","","","","","","","","","","has coordinates","198589","2020-10-21","18:00:00",""
"7051433","8.031","0.002","18.113","0.006","21.755","0.006","90","","90","","90","","3165","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H10 Mn N2 O4 S -","- C18 H10 Mn N2 O4 S -","- C144 H80 Mn8 N16 O32 S8 -","8","1","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","0.0428","","","0.0874","","","","","","","","","","","has coordinates","198588","2020-10-21","18:00:00",""
"7051434","7.349","0.001","18.165","0.001","6.721","0.001","90","","90","","90","","897.3","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Mn O6 S -","- C6 H6 Mn O6 S -","- C24 H24 Mn4 O24 S4 -","4","0.5","","Chen, Bang-Lin; Mok, Kum-Fun; Ng, Siu-Choon; Drew, Michael G. B.","Thiophene-2,5-dicarboxylic acid incorporated self-assembly of one-, two- and three-dimensional coordination polymers","New Journal of Chemistry","1999","23","8","877","883","10.1039/a901688k","","","","","","","0.0238","","","0.0602","","","","","","","","","","","has coordinates","198589","2020-10-21","18:00:00",""
"7051451","9.21","0.01","9.779","0.011","22.6","0.02","90","","90","","90","","2035","4","293","2","293","2","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C10 H22 Cl F6 O P Ru S5 -","- C10 H22 Cl F6 O P Ru S5 -","- C40 H88 Cl4 F24 O4 P4 Ru4 S20 -","4","0.5","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates","277928","2022-09-16","20:08:52",""
"7051452","10.391","0.011","20.94","0.02","11.488","0.013","90","","90.38","0.01","90","","2499","5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H22 F12 N2 P2 Ru S4 -","- C12 H22 F12 N2 P2 Ru S4 -","- C48 H88 F48 N8 P8 Ru4 S16 -","4","1","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277928","2022-09-16","20:08:55",""
"7051453","12.264","0.015","9.189","0.011","8.822","0.01","90","","96.02","0.01","90","","989","2","293","2","293","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C10 H19 Cl F6 N P Ru S4 -","- C10 H19 Cl F6 N P Ru S4 -","- C20 H38 Cl2 F12 N2 P2 Ru2 S8 -","2","0.5","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277928","2022-09-16","20:08:55",""
"7051454","7.655","0.009","15.928","0.017","21.47","0.02","90","","90","","90","","2618","5","293","2","293","2","","","","","","","","8","P c 21 b","","","","","","- C17 H25 Cl F6 N3 P Ru S4 -","- C17 H25 Cl F6 N3 P Ru S4 -","- C68 H100 Cl4 F24 N12 P4 Ru4 S16 -","4","1","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277928","2022-09-16","20:08:55",""
"7051455","19.95","0.02","14.86","0.016","21.52","0.02","90","","90","","90","","6382","12","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C26 H28 F12 N2 P2 Ru S4 -","- C26 H28 F12 N2 P2 Ru S4 -","- C208 H224 F96 N16 P16 Ru8 S32 -","8","1","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates","277928","2022-09-16","20:08:55",""
"7051456","18.89","0.02","11.713","0.013","15.908","0.018","90","","104.06","0.01","90","","3415","7","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 F12 N4 O2 P2 Ru S4 -","- C24 H28 F12 N4 O2 P2 Ru S4 -","- C96 H112 F48 N16 O8 P8 Ru4 S16 -","4","0.5","","Santos, Teresa M.; Goodfellow, Brian J.; Madureira, João; Pedrosa de Jesus, Júlio; Félix, Vitor; Drew, Michael G. B.","Synthesis and structural characterisation of new Ru^II^[12]aneS~4~ complexes with polypyridylic and related ligands","New Journal of Chemistry","1999","23","10","1015","1025","10.1039/a903117k","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","277928","2022-09-16","20:08:55",""
"7051474","8.8547","0.0009","10.1535","0.001","17.8903","0.0019","90.192","0.011","94.987","0.011","106.811","0.011","1533.2","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H8 F24 N8 -","- C20 H8 F24 N8 -","- C40 H16 F48 N16 -","2","1","","Alkorta, Ibon; Elguero, Jose; Donnadieu, Bruno; Jaffart, Joëlle; Schagen, David; Limbach, Hans-Heinrich","The structure of 3,5-bis(trifluoromethyl)pyrazole in the gas phase and in the solid state","New Journal of Chemistry","1999","23","","1231","1237","10.1039/a904292j","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","133688","2020-10-21","18:00:00",""
"7051498","12.263","0.002","22.3356","0.0013","22.566","0.002","90","","94.169","0.011","90","","6164.3","1.3","183","2","183","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 F12 N4 O16 P2 -","- C54 H78 F12 N4 O16 P2 -","- C216 H312 F48 N16 O64 P8 -","4","1","","Huuskonen, Juhani; Buston, Jonathan E. H.; Scotchmer, Neil D.; Anderson, Harry L.","Water-soluble macrocyclic receptors for small neutral guests","New Journal of Chemistry","1999","23","12","1245","1252","10.1039/a906403f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210946","2020-10-21","18:00:00",""
"7051499","14.0149","0.0012","12.7542","0.0012","17.837","0.002","90","","108.711","0.008","90","","3019.8","0.5","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H70.5 Cl1.5 N2 O17 -","- C57 H75 Cl3 N2 O18 -","- C114 H150 Cl6 N4 O36 -","2","0.5","","Huuskonen, Juhani; Buston, Jonathan E. H.; Scotchmer, Neil D.; Anderson, Harry L.","Water-soluble macrocyclic receptors for small neutral guests","New Journal of Chemistry","1999","23","12","1245","1252","10.1039/a906403f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","210946","2020-10-21","18:00:00",""
"7051500","12.466","0.002","11.9827","0.0018","16.456","0.002","90","","105.918","0.012","90","","2363.9","0.6","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H66 N2 O12 -","- C50 H66 N2 O12 -","- C100 H132 N4 O24 -","2","0.5","","Huuskonen, Juhani; Buston, Jonathan E. H.; Scotchmer, Neil D.; Anderson, Harry L.","Water-soluble macrocyclic receptors for small neutral guests","New Journal of Chemistry","1999","23","12","1245","1252","10.1039/a906403f","","","","","","","","","","","","","","","","","","","","","has coordinates","210946","2020-10-21","18:00:00",""
"7054305","9.2506","0.0005","9.0398","0.0006","11.4008","0.0009","90","","111.656","0.005","90","","886.08","0.11","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Cl O S2 -","- C20 H17 Cl O S2 -","- C40 H34 Cl2 O2 S4 -","2","1","","Nell, Peter G.","Generation of a highly enantioenriched α-phenylthio-substituted Grignard-reagent","New Journal of Chemistry","1999","23","10","973","","10.1039/a906179g","","","1.54178","CuKα","","0.0489","0.0486","","","0.1332","0.1336","","","","","","1.061","","","","has coordinates","180097","2020-10-21","18:00:00",""