Molecular and crystal structure of trans-cyanomethylhydridobis(triphenylphosphine)platinum(II), [PtH(CH2CN)(PPh3)2]

Abstract

The structure of the title complex has been determined from three-dimensional X-ray data. The complex crystallises in the monoclinic system, space group C⁵_2h-P2₁/n with four molecules in a unit cell of dimensions a= 14.610(6), b= 18.809(7), c= 12.083(5)Å, and β= 93.0(1)°. Least-squares refinement has led to a value of the conventional R index (on F) of 0.039 for the 2 544 independent reflections having I > 3σ(I). The complex has typical square-planar co-ordination. Structural parameters: Pt–P 2.272(4) and 2.276(4), Pt–H 1.5, Pt–C(37) 2.16(1), C(37)–C(38) 1.43(2), C(38)–N(1) 1.12(3)Å; Pt–C(37)–C(38) 106(1) and C(37)–C(38)–N(1) 175(2)°. The crystal packing is determined only by van der Waals interactions and all intermolecular contacts agree with those predicted from radii-sum rules.