Crystal and molecular structure of the tetracyanato-bis(phenanthroline)copper(II) complex

Abstract

At room temperature, the [Cu2(NCO)4(phen)2] complex possessed monoclinic symmetry, P21/n, with the unit cell parameters a = 0.7757(3) nm, b = 1.3563(5) nm, c = 1.1555(4) nm, β = 96.92(2)°, Z = 2. The central atom is involved in tetragonal pyramidal coordination comprising the CuN4Cu’ chromophor. The nitrogen atoms of the cyanate and phenanthroline ligands are in a square planar arrangement, from which the central copper atom is displaced in the axial direction. Through the Cu-Cu bond (0.320 nm), the [Cu(NCO)2(phen)] formula units are linked into centrosymmetric units, which in the crystal structure lie in parallel layers. The occurrence of the Cu-Cu bond can account for the fact that only one molecule of the heterocyclic ligand can be coordinated.