Crystal and molecular structure of five-co-ordinate fumaronitrile(8-methoxycyclo-oct-4-enyl)(1,10-phenanthroline)iridum(I)

Abstract

The crystal structure of the title compound was determined from three-dimensional X-ray data by conventional Fourier methods. Crystals are triclinic, space group P, with Z= 2, and cell parameters a= 9.848(6), b= 14.25(1), c= 17.93(1)Å, α= 36.28(4), β= 128.5(1), γ= 125.0(1)°. Least-squares refinement, based on 1 921 independent reflexions, reduced R to 0.078. Crystals consist of discrete molecules in which the iridium (I) atom has distorted trigonal-bipyramidal stereochemistry with the phenanthroline and cyclo-octenyl ligands both spanning axial and equatorial positions; the fumaronitrile molecule occupies the remaining equatorial position. The σ-bonded carbon atom of the cyclo-octenyl ligand is axial [Ir–C 2.13(3)Å] and the two olefinic linkages are equatorial with the CC bonds practically coplanar with the metal atom.