# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T11:59:39+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 = 102 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
"4124316","8.559","","8.559","","6.017","","90","","90","","90","","440.784","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Np (B H4)4","","- B4 H16 Np -","- B4 H16 Np -","- B8 H32 Np2 -","2","0.125","","Banks, R.H.; Templeton, D.H.; Edelstein, N.M.; Spencer, B.; Zalkin, A.","Volatility and molecular structure of neptunium(IV) borohydride","Journal of the American Chemical Society","1980","102","","620","623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124317","9.961","","18.088","","10.036","","90","","118.84","","90","","1583.96","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","K4 (H5 O2) (Nb3 O2 (S O4)6 (H2 O)3) (H2 O)5","","- H21 K4 Nb3 O36 S6 -","- K4 Nb3 O36 S6 -","- K8 Nb6 O72 S12 -","2","1","","Bino, A.","Triangular triniobium cluster in aqueous solution","Journal of the American Chemical Society","1980","102","","7990","7991","","","","","","","","","","","","","","","","","","","","","","has coordinates","154115","2020-10-21","18:00:00",""
"4124421","7.658","","9.084","","15.426","","90","","90","","90","","1073.11","","","","","","","","","","","","","6","P m c n","-P 2n 2a","62","","(C O)4 Mn B3 H7 Br","","- C4 H7 B3 Br Mn O4 -","- C4 H7 B3 Br Mn O4 -","- C16 H28 B12 Br4 Mn4 O16 -","4","0.5","","Chen, M.W.; Calabrese, J.C.; Gaines, D.F.; Hillenbrand, D.F.","Low-temperature crystal and molecular structure of tetracarbonyl (2-bromoheptahydrotriborato(1-)) manganese (C O)4 Mn B3 H7 Br and a 1H NMR study of the kinetics of its intramolecular hydrogen exchange in solution","Journal of the American Chemical Society","1980","102","","4928","4933","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124468","8.473","","15.056","","16.048","","90","","95.42","","90","","2038.08","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","H Fe5 N (C O)14","","- C14 H Fe5 N O14 -","- C14 H Fe5 N O14 -","- C56 H4 Fe20 N4 O56 -","4","1","","Tachikawa, M.; Stein, J.; Muetterties, E.L.; Beno, M.A.; Gebert, E.; Teller, R.G.; Williams, J.M.","Metal clusters with exposed and low-coordinate nitride nitrogen atoms","Journal of the American Chemical Society","1980","102","","6648","6649","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""