The crystal structure of diiodo((o-methylthiophenyl)diphenylphosphine)palladium(II), a complex exhibiting a large structural trans influence

The crystal structure of the title compound has been determined by conventional X-ray diffraction techniques. The red diamond-shaped crystals are monoclinic, space group P2₁/n, a 8.914(4), b 16.090(12), c 14.991(5) Å, β 95.97(2)°, V 2138.44 ų, Z = 4. Refinement by full-matrix least-squares methods employed anisotropic thermal parameters for all non-hydrogen atoms and isotropic temperature factors for hydrogen atoms, and returned final residuals of R = 0.028 and R_w = 0.028.The complex is monomeric, with a square planar coordination geometry comprising the S and P atoms of the bidentate (o-methylthiophenyl)diphenylphosphine ligand and the two iodine atoms. The PdI distance trans to P is 2.658(1) Å whereas that trans to S is 2.602(1) Å. The difference of 56 standard deviations illustrates the greater structural trans influence of phosphine over thioether donors. The PdP and PdS distances of 2.250(2) and 2.288(2) Å, respectively, are normal. Two phenyl hydrogen atoms approach the Pd atom in the axial regions above and below the square plane at distances of 2.98 and 2.99 Å.