ISOTHIOCYANATOBIS(1,10-PHENANTHROLINE)-COPPER(II) PERCHLORATE, [CU(NCS)(PHEN)(2)]CLO4

The crystal structure of [Cu(NCS)(C12H8N2)(2)]ClO4, containing a five-coordinate copper(II) atom with a distorted trigonal-bipyramidal [(CuN5)-N-II] core, is reported. The Cu-NCS distance is 2.005 (5) A with Cu bonded to the N-atom end of the isothiocyanate, while the Cu-N distances to the 1,10-phenanthrolines average 2.069 (4) Angstrom for the equatorial positions and 2.002 (4) Angstrom for the axial positions. The geometry is distorted from trigonal bipyramidal stereochemistry because the N-Cu-N angles of the 1,10-phenanthrolines average only 80.5 (2)degrees. The axial N and Cu atoms are almost linear with an angle of 174.8 (2)degrees. The isothiocyanate chain is approximately linear [178.7 (5)degrees] and bent at 166.1 (5)degrees from the Cu atom. This is the first report of a five-coordinate copper(II) complex containing a nitrogen-bonded thiocyanate ligand.