# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-26T03:38:16+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 = 94 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
"4123978","8.46","","11.34","","5.31","","90","","90","","96.1","","506.538","","","","","","","","","","","","","4","P 1 1 21/b","-P 2bc","14","","H I Cl4 (H2 O)4","","- Cl4 H9 I O4 -","- Cl4 I O4 -","- Cl8 I2 O8 -","2","0.5","","Bateman, R.J.; Bateman, L.R.","Solid-state structure, nuclear quadrupole resonance spectrum, and the resultant symmetry implications for tetrachloro- iodic acid tetrahydrate","Journal of the American Chemical Society","1972","94","","1130","1134","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4123979","7.49","","7.49","","13.24","","90","","90","","90","","742.765","","","","","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","U (B H4)4","","- B4 H16 U -","- B4 U -","- B16 U4 -","4","0.5","","Bernstein, E.R.; Keiderling, T.A.; Lippard, S.J.; Mayerle, J.J.","Structure of uranium borohydride by single-crystal X-Ray diffraction","Journal of the American Chemical Society","1972","94","","2552","2553","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124485","9.411","","20.822","","15.13","","90","","93.583","","90","","2959.02","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ba3 Co2 (C N)10 (H2 O)13","","- C10 H26 Ba3 Co2 N10 O13 -","- C10 H20 Ba3 Co2 N10 O13 -","- C40 H80 Ba12 Co8 N40 O52 -","4","0.5","","Brown, L.D.; Raymond, K.N.; Goldberg, S.Z.","Preparation and Structural Characterization of Barium Decacyanodicobaltate(II) Tridecahydrate, Ba3 (Co2 (C N)10) (H2 O)13, an Air-Stable Salt of the (Co2 (C N)10)(6-) Ion","Journal of the American Chemical Society","1972","94","","7664","7674","","","","","","","","","","","","","","","","","","","","","","has coordinates","156545","2020-10-21","18:00:00",""
"4124510","9.7599","","12.3967","","7.6091","","90","","90","","90","","920.629","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Cs2 Cu Cl4","","- Cl4 Cs2 Cu -","- Cl4 Cs2 Cu -","- Cl16 Cs8 Cu4 -","4","0.5","","McGinnety, J.A.","Cesium Tetrachlorocuprate. Structure, Crystal Forces, and Charge Distribution","Journal of the American Chemical Society","1972","94","","8406","8413","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124521","9.414","","20.831","","15.126","","90","","93.457","","90","","2960.86","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Ba3 Co2 (C N)10 (H2 O)13","","- C10 H26 Ba3 Co2 N10 O13 -","- C10 Ba3 Co2 N10 O13 -","- C40 Ba12 Co8 N40 O52 -","4","0.5","","Simon, G.L.; Adamson, A.W.; Dahl, L.F.","Preparation and Structure of Barium Decacyanodicobaltate (II) Tridecahydrate, Ba3 (Co2 (C N)10) (H2 O)13. stereochemical analysis of the metal-metal bonded (Co2 (C N)10) dimer","Journal of the American Chemical Society","1972","94","","7654","7663","","","","","","","","","","","","","","","","","","","","","","has coordinates","157966","2020-10-21","18:00:00",""
"5000126","12.9284","0.0041","13.3537","0.0068","7.9763","0.0017","90","","90.01","0.03","90","","1377.04","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H13 Cl N2 O -","- C16 H13 Cl N2 O -","- C64 H52 Cl4 N8 O4 -","4","1","","Camerman, Arthur; Camerman, Norman","Stereochemical basis of anticonvulsant drug action. II. Molecular structure of diazepam","Journal of the American Chemical Society","1972","94","1","268","272","10.1021/ja00756a047","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""