Crystal and molecular structure of di-µ-chloro-bis-{[1-(dicarbonyl-π-cyclopentadienylferrio)-2-phenylethyne]copper(I)}

Abstract

The crystal structure of the title compound has been determined by conventional methods from the intensities of 1578 non-zero reflections measured on a diffractometer and refined to R 0·071. Crystals are monoclinic, with a= 12·57(1), b= 18·27(2), c= 7·15(1)Å, β= 115·3(1)°, space group P2₁/a, and have two dimeric molecules per unit cell. The dimer comprises two asymmetric units related by a centre of inversion to give a central planar ring of alternating Cu and Cl atoms. The Cu–Cl distances are equivalent at 2·287(3)Å and the Cu ⋯ Cu distance across the ring is 3·069(2)Å. Each Cu atom is symmetrically π-bonded to the C₂ unit of the phenylethynyl group [Cu–C 2·01(2)Å], and the CuC₂ moieties are coplanar with the Cu₂Cl₂ ring. The ethynyl link is 1·23(1)Å, with Fe–C–C–Ph angles of ca. 162°.