The crystal structure of chlorotris(3-methylpyridine)copper(I), and its conversion into hexa-µ-chloro-tetrakis(3-methylpyridine)-µ4-oxo-tetracopper(II)

Abstract

The crystal and molecular structure of [Cu(3Me-py)₃Cl](3Me-py = 3-methylpyridine) has been determined by single-crystal X-ray diffraction techniques from diffractometer data. Crystals of the complex are rhombohedral, space group R3, with a= 14.384(2), c= 7.451 (2)Å, and Z= 3. After full-matrix least-squares refinement the final R value was 0.048 for 765 observed reflections. The complex consists of monomeric units with the copper having a tetrahedral co-ordination geometry. The monomers are stacked in such a manner that infinite linear Cu–Cl ⋯ Cu chains are formed with a separation of 7.451(2)Å between copper atoms. The complexes [CuL₃X][L = py (pyridine), 2Me-py (2-methylpyridine), or 3Me-py, X = Cl; L = 3Me-py, X = Br] are readily oxidised to [Cu₄X₆OL₄] species.