# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T02:40:58+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 'ACS Macro Letters') AND volume = 4 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
"4516799","19.66","0.0008","12.3532","0.0005","21.83","0.0009","90","","97.852","0.003","90","","5252","0.4","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H34 N Ni O3 P S -","- C27 H34 N Ni O3 P S -","- C216 H272 N8 Ni8 O24 P8 S8 -","8","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54184","CuKα","","0.0405","0.0368","","","0.1038","0.1075","","","","","","1.083","","","","has coordinates","239547","2020-10-21","18:00:00",""
"4516800","20.2492","0.0005","8.0522","0.0002","31.5344","0.0006","90","","90","","90","","5141.7","0.2","100","","100.04","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(SO2)-FI2-OMe2","","- C28 H25 N O5 S -","- C30 H31 N O6 S -","- C240 H248 N8 O48 S8 -","8","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54178","CuKα","","0.045","0.0412","","","0.1016","0.104","","","","","","1.105","","","","has coordinates","239549","2020-10-21","18:00:00",""
"4516801","14.3837","0.0007","20.8951","0.0009","34.7537","0.0016","93.299","0.002","100.959","0.003","99.89","0.002","10058.3","0.8","100","","99.99","","","","","","","","","8","P -1","-P 1","2","","FI2-CF3SO2-Ni2","","- C60 H60.6667 F12 N2 Ni2 O4 P2 S -","- C60 H60.3333 F12 N2 Ni2 O4 P2 S -","- C360 H362 F72 N12 Ni12 O24 P12 S6 -","6","3","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","x-ray","1.54178","CuKα","","0.1336","0.1077","","","0.3238","0.3486","","","","","","1.337","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4516802","8.1727","0.0003","15.1478","0.0005","20.3994","0.0007","86.808","0.002","78.729","0.002","74.828","0.001","2390.35","0.15","100","","99.99","","","","","","","","","6","P -1","-P 1","2","","(CF3,SO2)FI-Ni2","","- C50 H34 F12 N2 O4 S -","- C50 H34 F12 N2 O4 S -","- C100 H68 F24 N4 O8 S2 -","2","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","0.71073","MoKα","","0.1495","0.0997","","","0.3008","0.3207","","","","","","1.107","","","","has coordinates,has disorder","239551","2020-10-21","18:00:00",""
"4516803","11.6834","0.0004","14.3669","0.0005","18.298","0.0005","90.487","0.002","98.374","0.002","107.462","0.002","2894.18","0.17","100","","99.99","","","","","","","","","7","P -1","-P 1","2","","Ni2-FI(SO2)","","- C52 H64 N2 Ni2 O6 P2 S2 -","- C52 H64 N2 Ni2 O6 P2 S2 -","- C104 H128 N4 Ni4 O12 P4 S4 -","2","1","","Shu, Dongxu; Mouat, Aidan R.; Stephenson, Casey J.; Invergo, Anna M.; Delferro, Massimiliano; Marks, Tobin J.","Ligand-Unsymmetrical Phenoxyiminato Dinickel Catalyst for High Molecular Weight Long-Chain Branched Polyethylenes","ACS Macro Letters","2015","4","11","1297","","10.1021/acsmacrolett.5b00781","","","1.54178","CuKα","","0.0472","0.0407","","","0.1157","0.1217","","","","","","1.076","","","","has coordinates,has disorder","239552","2020-10-21","18:00:00",""