# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T15:47:48+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 = 106 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
"4124313","13.88","","12.061","","18.168","","90","","106.43","","90","","2917.25","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Os3 (C O)8 S2)2","","- C16 O16 Os6 S4 -","- C16 O16 Os6 S4 -","- C64 O64 Os24 S16 -","4","1","","Adams, R.D.; Horvath, I.T.","Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity, and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2)","Journal of the American Chemical Society","1984","106","","1869","1871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4124314","12.019","","12.323","","11.217","","90","","115.41","","90","","1500.63","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(H2 Os3 (C O)8) S2","","- C8 H2 O8 Os3 S2 -","- C8 H2 O8 Os3 S2 -","- C32 H8 O32 Os12 S8 -","4","0.5","","Adams, R.D.; Horvath, I.T.","Unusual metal-metal bonding in transition-metal carbonyl cluster compounds. The synthesis, reactivity and crystal and molecular structure of ((Os3 (C O)8 (mue3-S)2)2)","Journal of the American Chemical Society","1984","106","","1869","1871","","","","","","","","","","","","","","","","","","","","","","has coordinates","153963","2020-10-21","18:00:00",""
"4124319","10.686","","8.686","","11.351","","90","","90","","90","","1053.58","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- B12 H16 -","- B12 H16 -","- B48 H64 -","4","1","","Brewer, C.T.; Grimes, R.N.","Metal-induced oxidative fusion of boranes. Synthesis of B12 H16, the first neutral dodecaborane","Journal of the American Chemical Society","1984","106","","2722","2723","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4124423","8.95","","9.112","","8.928","","103.38","","93.75","","70.19","","666.351","","","","","","","","","","","","","6","P -1","-P 1","2","","V (H2 O)6 (H5 O2) (C F3 S O3)4","","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","1","0.5","","Cotton, F.A.; Lewis, G.E.; Fair, C.K.; Williams, J.M.; Mott, G.N.; Ross, F.K.; Schultz, A.J.","Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4","Journal of the American Chemical Society","1984","106","","5319","5323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124424","8.942","","8.902","","8.774","","103.4","","95.2","","69.9","","637.985","","","","","","","","","","","","","6","P -1","-P 1","2","","V (H2 O)6 (H5 O2) (C F3 S O3)4","","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","- C4 H17 F12 O20 S4 V -","1","0.5","","Cotton, F.A.; Mott, G.N.; Fair, C.K.; Lewis, G.E.; Schultz, A.J.; Ross, F.K.; Williams, J.M.","Precise structural characterizations of the hexaaquovanadium(III) and diaquohydrogen ions. X-ray and neutron diffraction studies of (V (H2 O)6) (H5 O2) (C F3 S O3)4","Journal of the American Chemical Society","1984","106","","5319","5323","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124435","16.656","","9.761","","16.776","","90","","118.09","","90","","2406.16","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ir6 (C O)16","","- C16 Ir6 O16 -","- C16 Ir6 O16 -","- C64 Ir24 O64 -","4","0.5","","Garlaschelli, L.; Martinengo, S.; Bellon, P.L.; Demartin, F.; Chiang, M.Y.; Manassero, M.; Wei, C.Y.; Bau, R.","Structures of Two Isomers of Ir6 (C O)16","Journal of the American Chemical Society","1984","106","","6664","6667","","","","","","","","","","","","","","","","","","","","","","has coordinates","154909","2020-10-21","18:00:00",""
"4124436","13.622","","12.807","","18.589","","90","","132.65","","90","","2385.23","","","","","","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","Ir6 (C O)16","","- C16 Ir6 O16 -","- C16 Ir6 O16 -","- C64 Ir24 O64 -","4","1","","Garlaschelli, L.; Martinengo, S.; Chiang, M.Y.; Bellon, P.L.; Demartin, F.; Manassero, M.; Bau, R.; Wei, C.Y.","Structures of two isomers of Ir6 (C O)16","Journal of the American Chemical Society","1984","106","","6664","6667","","","","","","","","","","","","","","","","","","","","","","has coordinates","154910","2020-10-21","18:00:00",""
"4124463","15.933","","14.377","","12.952","","90","","90","","90","","2966.9","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","Zr6 I14 K","","- I14 K Zr6 -","- I14 K Zr6 -","- I56 K4 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4124464","15.892","","14.288","","12.899","","90","","90","","90","","2928.91","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","K.46 Zr6 I14","","- I14 K0.46 Zr6 -","- I14 K0.46 Zr6 -","- I56 K1.84 Zr24 -","4","","","Smith, J.D.; Corbett, J.D.","A remarkable alkali-metal-centered Zirconium cluster in potassium hexazirconium tetradecaiodide Zr6 I14 K Synthesis and characterization","Journal of the American Chemical Society","1984","106","","4618","4619","","","","","","","","","","","","","","","","","","","","","","has coordinates","156001","2020-10-21","18:00:00",""