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.
Original Publication Title
Acta Crystallographica Section C-Crystal Structure Communications
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Parker, O J.; Manson, Jamie L.; and Breneman, G L., "Isothiocyanatobis(1,10-Phenanthroline)-Copper(Ii) Perchlorate, [Cu(Ncs)(Phen)(2)]Clo4" (1994). Chemistry and Biochemistry Faculty Publications. 23.