CRYSTAL STRUCTURE DETERMINATION OF DICHLOROBIS(1-PHENYL-3,5-DIMETHYLPYRAZOLE)COPPER(II) [sbnd] [CuCl₂(pdmp)₂]

Abstract

The crystal structure of dichlorobis (1-phenyl-3,5-dimethylpyrazole)copper(II), [CuCl₂ (pdmp)₂], CuCl₂C_{2 2}H_{2 4}N₄, monoclinic, P2₁/c, a=13.121(5), b=10.610(2), c=13.973(5) Å, β=145.51(1)°, Z=2, D _m=1.44 (flotation), D _x=1.44 g.cm⁻³, μ(CuKα)=37.6 cm⁻¹, has been determined from three dimensional X-ray diffractometric data. The structure was solved by direct methods and refined by full-matrix least-squares calculations to R=0.060 using 2072 reflexions for which I > 3σ(I). The copper atom is tetracoordinated and the stereochemistry around it is trans-square planar. The relevant distances are Cu[sbnd]Cl 2.268(1) and Cu[sbnd]N 1.979(1) Å. Spectral and magnetic properties of the complex are reported and their relations with the present structural data are discussed.