# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-01-02T13:57:14+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 'Journal of the American Chemical Society') AND volume = 100 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
"4119064","12.248","","12.248","","12.248","","90","","90","","90","","1837.36","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag11.48 (Al12 Si12 O48)","","- Ag11.48 Al12 O48 Si12 -","- Ag11.24 Al12 O48 Si12 -","- Ag11.24 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","10.1021/ja00490a035","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119065","12.333","","12.333","","12.333","","90","","90","","90","","1875.89","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag11.888 (Al12 Si12 O48)","","- Ag11.888 Al12 O48 Si12 -","- Ag11.888 Al12 O48 Si12 -","- Ag11.888 Al12 O48 Si12 -","1","0.0208333","","Seff, K.; Kim, Y.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","10.1021/ja00490a035","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119069","12.148","","12.148","","12.148","","90","","90","","90","","1792.73","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag9.26 (Si12 Al12 O48)","","- Ag9.26 Al12 O48 Si12 -","- Ag9.26 Al12 O48 Si12 -","- Ag9.26 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","10.1021/ja00490a035","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4124431","12.238","","12.238","","12.238","","90","","90","","90","","1832.87","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Eu O)2.75 Eu1.75 Na3 Si12 Al12 O48","","- Al12 Eu4.504 Na0.9996 O50.752 Si12 -","- Al12 Eu4.504 Na0.9996 O50.752 Si12 -","- Al12 Eu4.504 Na0.9996 O50.752 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Europium(IV), a new oxidation state for europium. crystal structure of dehydrated europium(II)-exchanged sodium zeolite A, Eu4.5 Na3-A, partially oxidized by oxygen","Journal of the American Chemical Society","1978","100","","976","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","154862","2020-10-21","18:00:00",""
"4124432","12.251","","12.251","","12.251","","90","","90","","90","","1838.72","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Eu Cl2)4 Eu1.48 Na Si12 Al12 O48","","- Al12 Cl8 Eu5.48 Na O48 Si12 -","- Al12 Cl8 Eu5.4796 O48 Si12 -","- Al12 Cl8 Eu5.4796 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Five-coordinate europium(IV) and zero-coordinate europium(II). Crystal structure of dehydrated near-fully europium(II)-exchanged zeolite A, Eu5.5 Na-A partially oxidized by chlorine","Journal of the American Chemical Society","1978","100","","978","980","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124433","12.278","","12.278","","12.278","","90","","90","","90","","1850.9","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ca6 (Si12 Al12 O48)","","- Al12 Ca6 O48 Si12 -","- Al12 Ca5.9996 O48 Si12 -","- Al12 Ca5.9996 O48 Si12 -","1","0.0208333","","Firor, R.L.; Seff, K.","Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A","Journal of the American Chemical Society","1978","100","","3091","3096","","","","","","","","","","","","","","","","","","","","","","has coordinates","154864","2020-10-21","18:00:00",""
"4124434","12.316","","12.316","","12.316","","90","","90","","90","","1868.14","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Si2 Al2 O8","","- Al2 O8 Si2 Sr -","- Al2 O8 Si2 Sr1.00013 -","- Al12 O48 Si12 Sr6.0008 -","6","0.125","","Firor, R.L.; Seff, K.","Near zero coordinate Ca2+ and Sr2+ in zeolite A. Crystal structures of dehydrated Ca6-A and Sr6-A","Journal of the American Chemical Society","1978","100","","3091","3096","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124443","12.244","","12.244","","12.244","","90","","90","","90","","1835.57","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","H2.25 Ag12 Cl2.248 Si12 Al12 O48 (Cl2)6","","- Ag12 Al12 Cl14.248 H2.25 O48 Si12 -","- Ag12.008 Al12 Cl14.248 H2.25 O48 Si12 -","- Ag12.008 Al12 Cl14.248 H2.25 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","Oxidation of hexasilver to silver chloride by dichlorine. Crystal structure of H2.25 Ag12 Cl2.25 Si12 Al12 O48 * (Cl2)6 a chlorine sorption complex of partially dehydrated fully Ag+ -exchanged ...","Journal of the American Chemical Society","1978","100","","3801","3805","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124444","12.279","","12.279","","12.279","","90","","90","","90","","1851.35","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ag7.48 Si12 Al12 O48","","- Ag7.48 Al12 O48 Si12 -","- Ag7.48 Al12 O48 Si12 -","- Ag7.48 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The octahedral hexasilver molecule. Seven crystal structures of variously vacuum-dehydrated fully Ag+ -exchanged zeolite A","Journal of the American Chemical Society","1978","100","","6989","6997","","","","","","","","","","","","","","","","","","","","","","has coordinates","155150","2020-10-21","18:00:00",""
"4124447","12.269","","12.269","","12.269","","90","","90","","90","","1846.83","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Cd9.5 (Si12 Al12 O48) Cl4 (O H)3","","- Al12 Cd9.5 Cl4 H3 O51 Si12 -","- Al12 Cd9.499 Cl3.9984 O51 Si12 -","- Al12 Cd9.499 Cl3.9984 O51 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A","Journal of the American Chemical Society","1978","100","","5052","5057","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124448","12.219","","12.219","","12.219","","90","","90","","90","","1824.34","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","Cd9.5 (Si12 Al12 O48) Cl4 (O H)3 (H2 O)4","","- Al12 Cd9.5 Cl4 H11 O55 Si12 -","- Al12 Cd9.4975 Cl3.999 O55 Si12 -","- Al12 Cd9.4975 Cl3.999 O55 Si12 -","1","0.0208333","","McCusker, L.B.; Seff, K.","Zero-coordinate cadmium(II). Over ion exchange. Crystal structures of hydrated and dehydrated zeolite A exchanged with Cd Cl2 to give Cd9.5 Cl4 (O H)3 -A","Journal of the American Chemical Society","1978","100","","5052","5057","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124467","12.099","","12.099","","12.099","","90","","90","","90","","1771.12","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Co4 Na4 (Al12 Si12 O48)) (Cl2)4","","- Al12 Cl8 Co4 Na4 O48 Si12 -","- Al12 Cl8.0008 Co4 Na3.9996 O48 Si12 -","- Al12 Cl8.0008 Co4 Na3.9996 O48 Si12 -","1","0.0208333","","Subramanian, V.; Seff, K.; Ottersen, T.","A molecular chlorine complex of cobalt(II). The crystal structure of a dichlorine sorption complex of dehydrated cobalt(II)- exchanged sodium zeolite A, Co4 Na4 - A (Cl2)4","Journal of the American Chemical Society","1978","100","","2911","2913","","","","","","","","","","","","","","","","","","","","","","has coordinates","156054","2020-10-21","18:00:00",""
"4124792","12.212","","12.212","","12.212","","90","","90","","90","","1821.21","","","","","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","(Ag12 Si12 Al12 O48) (C2 H4)3.65","","- C7.3 H14.6 Ag12 Al12 O48 Si12 -","- C7.296 Ag12.008 Al12 O48 Si12 -","- C7.296 Ag12.008 Al12 O48 Si12 -","1","0.0208333","","Kim, Y.; Seff, K.","The hexasilver molecule stabilized by coordination to Si(x) silver ions. The structure of (Ag+)6 (Ag6). The crystal structure of an ethylene sorption complex of partially decomposed fully Ag±exchanged zeolite A","Journal of the American Chemical Society","1978","100","","175","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","173125","2020-10-21","18:00:00",""