Crystal structure of (η⁵ pentamethylcyclopentadienyl){bis(pentafluorophenyl)×thiomethylphenyl phosphine-κ₂ S,P)chloro-iridium(III) tetrafluoroborate

Abstract

The salt (η⁵-pentamethylcyclopentadienyl){bis(pentafluorophenyl)thiomethylphenylphosphine-κ₂ S,P)chloroiridium(III) tetrafluoroborate, [(η⁵-C₅Me₅)IrCl{κ₂ S,P-(C₆F₅)₂PC₆H₄SMe-2}]BF₄, crystallizes as a conglomerate in the orthorhombic crystal system in space group P2₁2₁2₁ with unit cell parameters a = 9.9621(9) Å, b = 16.7793(15) Å, c = 18.5040(16) Å, V = 3093.1(5) ų, Z = 4, d calc = 2.014 g•cm⁻³. The structure of the S Ir, S S stereoisomer reveals three-legged piano stool geometry about Ir, with Cp*-Ir, Ir-P, Ir-S and Ir-Cl distances of 1.847(5) Å, 2.2791(14) Å, 2.3451(13) Å, and 2.3840(12) Å respectively.