Structure of Hydrido(dithiomethyl ester)bis(carbonyl)bis(triphenylphosphine)osmium-Hemibenzene, OSH(CS2(CH3))(CO)2(P(C6H5)3)2·1/2C6H6

Joyce M. Waters, James A. Ibers*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

161 Scopus citations


The structure of OsH(CS2Me)(CO)2(PPh3)2·1/2C6H6 has been determined by single-crystal x-ray methods. The compound crystallizes with two formula units in space group Ci1-P1 of the triclinic system in a cell of dimensions a = 12.217 (4) Å, b = 15.129 (9) Å, c = 11.241 (4) Å, α = 106.23 (3)°, β = 93.97 (3)°, γ = 101.57 (3)°, V= 1936.9 Å3, ρcalcd = 1.546 g/cm3, and ρobsd = 1.56 (2) g/cm3. The structure has been refined by least-squares methods to a final R index on F of 0.036 for the 182 variables and 7005 data. Included in the refinement was the hydrido ligand. The coordination about the Os atom is approximately octahedral with trans phosphine groups and with the dithiomethyl ester group trans to a carbonyl and the hydrido ligand trans to the other carbonyl group. The Os-H distance is 1.64 (6) Å. The dithiomethyl ester ligand is bound in a monodentate fashion through the C atom. The Os-C(3), C(3)-S(1), and C(3)-S(2) bond lengths of 2.137 (5), 1.724 (5), and 1.648 (4) Å, respectively, suggest that stabilization of the donor C atom is by interaction between it and the two adjacent sulfur atoms and not with the metal.

Original languageEnglish (US)
Pages (from-to)3273-3277
Number of pages5
JournalInorganic chemistry
Issue number12
StatePublished - Dec 1 1977

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Inorganic Chemistry


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