X-ray structure of (η5-cyclopentadienyl)bis-(triphenylphosphine) (p-nitro-benzoato)ruthenium (II)

Abstract

The structure of Ru(η⁵-C₅H₅)(PPh₃)₂ (O₂CC₆H₄-<em>p</em>-NO₂) (<strong>1</strong>) is determined by single crystal X-ray studies. The crystal belongs to the monoclinic space group P2₁/n with the following unit cell dimensions for the C₄₈H₃₉NO₄P₂Ru(Mr = 856.55): a = 11.960(5) Ǻ; b= 19.129(4) Ǻ; c = 18.123(2) Ǻ; β = 102.86(2ᵒ), V=4042.6 Ǻ³, Z = 4, D<em>_c</em>= 1.40 g cm^-3, MoKɑ = 0.7107 Ǻ, μ = 4.11 cm^-1, F(000) = 1748, T= 293 K, R= 0.077 (R_w= 0.069) for 2325 [I ≥ 3 σ (<strong>I</strong>)] reflections. The structure consists of discrete molecules. The symmetry about the ruthenium atom is essentially octahedral showing the presence of a η⁵-C₅H₅ and a η¹-carboxylato ligands in the coordination sphere besides two coordinated PPh₃ groups.