# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-02T06:00:47+02:00
# 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 = 117 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
"4114080","22.6242","","13.3503","","12.3642","","90","","68.913","","90","","3484.4","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","CIT-1","","- O112 Si56 -","- O112 Si56 -","- O112 Si56 -","1","0.125","","Lobo, R. F.; Davis, M. E.","CIT-1: A New Molecular Sieve with Intersecting Pores Bounded by 10- and 12-Rings","J. Am. Chem. Soc.","1995","117","","3766","3779","10.1021/ja00118a013","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119062","4.624","","4.624","","23.326","","90","","90","","90","","498.742","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K0.33 Ba0.67 Ag Te2","","- Ag Ba0.67 K0.33 Te2 -","- Ag Ba0.67 K0.33 Te2 -","- Ag4 Ba2.68 K1.32 Te8 -","4","0.125","","Kannewurf, C.R.; Kanatzidis, M.G.; Guo, H.-Y.; Zhang, X.; Hogan, T.; Li, J.; Lee, S.; Foran, B.","Distorted square nets of tellurium in the novel quaternary polytelluride K0.33 Ba0.67 Ag Te2","Journal of the American Chemical Society","1995","117","","10513","10520","10.1021/ja00147a012","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4119068","6.508","","15.164","","6.518","","90","","90","","90","","643.244","","","","","","","","","","","","","4","C 2 2 2","C 2 2","21","","Cs2 Ag2 Zr Te4","","- Ag2 Cs2 Te4 Zr -","- Ag2 Cs2 Te4 Zr -","- Ag4 Cs4 Te8 Zr2 -","2","0.25","","Ibers, J.A.; Pell, M.A.","Cs2 Ag2 Zr Te4 : a new layered telluride containing tetrahedrally coordinated zirconium","Journal of the American Chemical Society","1995","117","","6284","6286","10.1021/ja00128a016","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4125866","11.568","0.007","14.244","0.003","8.118","0.003","97.44","0.02","103","0.04","94.64","0.03","1284","1","153.2","","153.2","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 Co Li3 N9 O4 -","- C17 H28 Co Li3 N9 O4 -","- C34 H56 Co2 Li6 N18 O8 -","2","1","","Dorai Ramprasad; Guido P. Pez; Brian H. Toby; Thomas J. Markley; Ronald M. Pearlstein","Solid State Lithium Cyanocobaltates with a High Capacity for Reversible Dioxygen Binding: Synthesis, Reactivity, and Structures","Journal of the American Chemical Society","1995","117","","10694","10701","10.1021/ja00148a011","","","0.7107","MoKalpha","","","0.0774","","","0.085","","","","","2.308","2.308","","","","","has coordinates","194294","2020-10-21","18:00:00",""
"4125867","15.4455","0.0008","8.4217","0.0004","14.1511","0.0008","90","","97.778","0.026","90","","1823.8","0.2","","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Co Li3 N7 O2 -","- C11 Co Li3 N7 O2 -","- C44 Co4 Li12 N28 O8 -","4","1","","Dorai Ramprasad; Guido P. Pez; Brian H. Toby; Thomas J. Markley; Ronald M. Pearlstein","Solid State Lithium Cyanocobaltates with a High Capacity for Reversible Dioxygen Binding: Synthesis, Reactivity, and Structures","Journal of the American Chemical Society","1995","117","","10694","10701","10.1021/ja00148a011","powder diffraction","x-ray","1.29945","synchrotron","","","","","","","","","0.0514","","","","1.728","","","","has coordinates","194295","2020-10-21","18:00:00",""
"5000235","12.559","0.003","14.263","0.003","13.739","0.001","90","","106.13","0.01","90","","2364.17","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C50 H70 O14 -","- C50 H70 O14 -","- C100 H140 O28 -","2","1","","Nicolaou, K. C.; Rutjes, F. P. J. T.; Theodorakis, E. A.; Tiebes, J.; Sato, M.; Untersteller, E.","Total Synthesis of Brevetoxin B. 3. Final Strategy and Completion","Journal of the American Chemical Society","1995","117","41","10252","10263","10.1021/ja00146a010","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""