# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T08:25:13+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 'Green Chem.') AND volume = 16 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
"7217280","27.1582","0.0014","28.5362","0.0013","24.0085","0.0011","90","","113.869","0.001","90","","17015","1.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","PPh4-Aletbat","","","- C86.5 H113 Al Cl5 O4 P -","- C86.5 H113 Al Cl5 O4 P -","- C692 H904 Al8 Cl40 O32 P8 -","8","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1435","0.0843","","","0.2228","0.2696","","","","","","1.013","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7217281","16.4252","0.001","16.4896","0.001","29.6929","0.0018","90","","102.666","0.001","90","","7846.5","0.8","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Li(thf)4-Aletbat","","","- C77 H122 Al Cl2 Li O8 -","- C77 H122 Al Cl2 Li O8 -","- C308 H488 Al4 Cl8 Li4 O32 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1094","0.0789","","","0.2113","0.2375","","","","","","1.013","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217282","14.1898","0.0002","14.7188","0.0003","19.354","0.0004","83.112","0.001","89.299","0.001","71.328","0.001","3800.35","0.13","200","2","200","2","","","","","","","","5","P -1","-P 1","2","Na(thf)4 Aletbat","","","- C76 H120 Al Na O8 -","- C76 H120 Al Na O8 -","- C152 H240 Al2 Na2 O16 -","2","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1158","0.07","","","0.1787","0.2055","","","","","","1.039","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217283","24.3711","0.0015","24.6465","0.0015","25.3492","0.0015","90","","90","","90","","15226.3","1.6","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","NBu4-Aletbat","","","- C77 H126 Al Cl2 N O4 -","- C77 H126 Al Cl2 N O4 -","- C616 H1008 Al8 Cl16 N8 O32 -","8","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1351","0.0788","","","0.1755","0.2123","","","","","","1.019","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217284","5.9662","0.0013","10.201","0.002","14.27","0.003","101.025","0.005","93.011","0.005","104.712","0.005","819.8","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Aletbat Bisphenol","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","1","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1321","0.07","","","0.1515","0.1785","","","","","","1.06","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217285","24.5162","0.0013","14.2702","0.0007","27.0151","0.0013","90","","90","","90","","9451.3","0.8","200","2","200","2","","","","","","","","7","P c a 21","P 2c -2ac","29","IPrAuSMe2-Aletbat","","","- C94 H142 Al Au N2 O4 S -","- C94 H142 Al Au N2 O4 S -","- C376 H568 Al4 Au4 N8 O16 S4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.0908","0.0586","","","0.1074","0.1213","","","","","","1.023","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217286","11.081","0.002","23.961","0.006","24.439","0.006","90","","101.533","0.007","90","","6358","3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Na(thf)2-Aletbat","","","- C68 H104 Al Na O6 -","- C68 H104 Al Na O6 -","- C272 H416 Al4 Na4 O24 -","4","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1865","0.1312","","","0.3141","0.3504","","","","","","1.085","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217287","9.971","0.004","11.013","0.004","19.557","0.008","90","","94.091","0.014","90","","2142.1","1.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Alphetbat Brommmethyphenol","","","- C25 H27 Br O -","- C25 H27 Br O -","- C100 H108 Br4 O4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.094","0.052","","","0.1142","0.1336","","","","","","1.037","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217288","23.87","0.02","23.87","0.02","10.781","0.009","90","","90","","90","","6143","9","200","2","200","2","","","","","","","","3","I 41/a","-I 4ad","88","Aletpat Bisphenol","","","- C34 H54 O2 -","- C34 H54 O2 -","- C272 H432 O16 -","8","","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1811","0.1123","","","0.2622","0.3016","","","","","","1.089","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217289","23.163","0.002","27.127","0.003","30.989","0.003","115.645","0.002","99.092","0.003","100.786","0.003","16604","3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","PPh4-Aletpat","","","- C92 H124 Al O4 P -","- C92 H124 Al O4 P -","- C736 H992 Al8 O32 P8 -","8","4","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1781","0.0947","","","0.2477","0.303","","","","","","1.035","","","","has coordinates","180503","2020-10-21","18:00:00",""
"7217290","11.466","0.003","11.745","0.003","11.838","0.003","71.639","0.007","75.918","0.007","72.993","0.007","1426.7","0.6","200","2","200","2","","","","","","","","3","P -1","-P 1","2","Alphetbat Bisphenol","","","- C66 H86 O6 -","- C66 H86 O6 -","- C66 H86 O6 -","1","0.5","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.0888","0.0593","","","0.1473","0.1689","","","","","","1.031","","","","has coordinates,has disorder","180503","2020-10-21","18:00:00",""
"7217291","14.8662","0.0015","33.789","0.004","27.09","0.003","90","","94.019","0.004","90","","13574","3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","PPh4-Alphetbat","","","- C136 H152 Al Cl4 O4 P -","- C136 H152 Al Cl4 O4 P -","- C544 H608 Al4 Cl16 O16 P4 -","4","1","","Söhner, T.; Braun, F.; Over, L. C.; Mehlhose, S.; Rominger, F.; Straub, B. F.","Halogen-free water-stable aluminates as replacement for persistent fluorinated weakly-coordinating anions","Green Chem.","2014","16","11","4696","","10.1039/C4GC00928B","","","0.71073","MoKα","","0.1585","0.1064","","","0.3107","0.3518","","","","","","1.227","","","","has coordinates","180503","2020-10-21","18:00:00",""