# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-19T21:40:54+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 = 115 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
"4119076","7.6139","","7.6139","","7.6139","","90","","90","","90","","441.389","","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","(Zn6 Ga2) P2 (B O2)12","","- B12 Ga2 O24 P2 Zn6 -","- B12 Ga2 O24 P2 Zn6 -","- B12 Ga2 O24 P2 Zn6 -","1","0.0208333","","Eckert, H.; Moran, K.L.; Wasylishen, R.E.; Harrison, W.T.A.; Eichele, K.; Gier, T.E.; Stucky, G.D.","Synthesis and characterization of mixed ZnSe/GaP semiconductor species included in the sodalite structure","Journal of the American Chemical Society","1993","115","","10553","10558","10.1021/ja00076a013","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4119077","7.6801","","7.6801","","7.6801","","90","","90","","90","","453.003","","","","","","","","","","","","","4","I -4 3 m","I -4 2 3","217","","Zn8 Se2 (B O2)12","","- B12 O24 Se2 Zn8 -","- B12 O24 Se2 Zn8 -","- B12 O24 Se2 Zn8 -","1","0.0208333","","Eckert, H.; Moran, K.L.; Harrison, W.T.A.; Wasylishen, R.E.; Stucky, G.D.; Eichele, K.; Gier, T.E.","Synthesis and characterization of mixed ZnSe/GaP semiconductor species included in the sodalite structure","Journal of the American Chemical Society","1993","115","","10553","10558","10.1021/ja00076a013","","","","","","","","","","","","","","","","","","","","","has coordinates","178961","2020-10-21","18:00:00",""
"4124640","5.794","","5.113","","9.919","","90","","90","","90","","293.848","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","((H2 N) N2) (Sb F6)","","- F6 H2 N3 Sb -","- F6 H2 N3 Sb -","- F12 H4 N6 Sb2 -","2","0.5","","Christe, K.O.; Wilson, W.W.; Dixon, D.A.; Lu, R.; Khan, S.I.; Bau, R.; Metzenthin, T.","The aminodiazonium cation, H2 N3+","Journal of the American Chemical Society","1993","115","","1836","1843","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000187","7.7163","0.0018","17.6101","0.0068","5.5655","0.0019","90","","96.396","0.024","90","","751.56","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 O2 -","- C9 H8 O2 -","- C36 H32 O8 -","4","1","","Enkelmann, Volker; Wegner, Gerhard; Novak, Kathleen; Wagener, Kenneth B.","Single-crystal-to-single-crystal photodimerization of cinnamic acid","Journal of the American Chemical Society","1993","115","22","10390","10391","10.1021/ja00075a077","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""