TY - JOUR
T1 - Structure of Hydrido(dithiomethyl ester)bis(carbonyl)bis(triphenylphosphine)osmium-Hemibenzene, OSH(CS2(CH3))(CO)2(P(C6H5)3)2·1/2C6H6
AU - Waters, Joyce M.
AU - Ibers, James A.
PY - 1977/12/1
Y1 - 1977/12/1
N2 - 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.
AB - 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.
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U2 - 10.1021/ic50178a057
DO - 10.1021/ic50178a057
M3 - Article
AN - SCOPUS:0010954793
SN - 0020-1669
VL - 16
SP - 3273
EP - 3277
JO - Inorganic chemistry
JF - Inorganic chemistry
IS - 12
ER -