Michio Kashiwagi

Crystal structure of μ-chloro-chloro-di-π-allyl (cyclohexanone oxime) dipalladium

Abstract The crystal structure of μ-chloro-chloro-di-π-allyl(cyclohexanone oxime)dipalladium, [Pd(π-C 3 H 5 )Cl] 2 C 6 H 10 NOH, has been determined from three-dimensional X-ray diffraction data collected on a single crystal diffractometer with Mo- K α radiation. The crystals belong to the triclinic space group P 1 ( C 1 i ), with cell parameters: a = 8.004±0.01 A, b = 14.47±0.01 A, c = 7.88±0.02 A, α = 95.1±0.1°, β = 90.3±0.2°, and − = 113.1±0.1°. The unit cell contains two molecules of the complex. The complex has a binuclear structure of the two palladium atoms, one coordinates to a π-allyl group and two chlorine atoms in a square-planar configuration. The other palladium atom coordinates to one chlorine atom, a π-allyl group and the nitrogen atom of the oxime, also with a square-planar geometry. The structure may be derived from that of bis(π-allylpalladium chloride) by rupture of the bond between the palladium and one of the bridge chlorine atoms, coordination of the nitrogen of the oxime to the palladium and formation by the terminal chlorine atom of a hydrogen bond with the hydroxyl group of the oxime. The orientation of the π-allyl groups with respect to the palladium atoms is similar to those found in other π-allyl complexes.