Structure of permethyltantalocenephenylmethanecarbothialdehyde hydride, (η^5-C_5Me_5)_2Ta(η^2-SCHCH_2C_6H_5)H

Abstract

Hydridobis( 7] 5-pentamethylcyclopentadienyl) (phenylmethanecarbothialdehyde-kC,kS)tantalum C_(28)H_(39)STa, Mr= 588.63, monoclinic, P2_1 c, ɑ = 15.729 (5), b = 10.203 (2), c = 17.599 (5) Å, β = 116.18 (2)º , v = 2535 (1) Å^3, z = 4, D_x = 1.54 g cm^(-3), λ(Mo Kɑ) = 0.71073 A, μ = 46.6 cm^(-1), F(000) = 1184, room temperature (297 K), R = 0.068 for 2333 reflections with F_o^2 > 0, R = 0.054 for 2179 with F_o^2 > 3σ(F_o^2). The structure is disordered, with two enantiomeric molecules occupying the same crystallographic site. For the major component, the thioaldehyde ligand has an S-C bond length of 1.86 (2) Å. The ligand is bonded to the Ta center with a Ta-S bond distance of 2.418 (9) Å and a Ta-C bond distance of 2.28 (2) Å.