Dimeric ensembles in the crystal structures of mixed-ligand coordination compounds ML( i-Bu2PS2)2 (M = Zn, Cd, Mn, Co, Ni; L = Phen, 2,2'-Bipy)

Klevtsova, R. F.; Glinskaya, L. A.; Kokina, T. E.; Larionov, S. V.
July 2005
Journal of Structural Chemistry;Jul2005, Vol. 46 Issue 4, p699
Academic Journal
Single crystals of a mononuclear mixed-ligand complex [Mn(Phen)( i-Bu2PS2)2] were grown and used for X-ray diffraction structural study of the material (diffractometer CAD-4, Mo K a -radiation, 1205 F hkl , R = 0.0351). The crystals are monoclinic: a = 15.602(2) �, b = 20.914(3) �, c = 11.419(2) �; � = 111.36(1)�, V = 3470.1(9) �3, Z = 4, ?(calc) = 1.251 g/cm3, space group P21/ c. Coordination polyhedron of Mn is a distorted octahedron N2S4. Molecular and crystal structures of mixed-ligand coordination compounds ML( i-Bu2PS2)2 (M= Zn, Cd, Mn, Co, Ni; L = Phen, 2,2'-Bipy) are considered on the basis of XRD data (automated diffractometers CAD-4 and X8-APEX). The analysis of intermolecular distances in the structures of ten mixed-ligand coordination compounds revealed in nine of them the presence of short contacts made by carbon atoms of the N-heterocycles. These contacts correspond to p-p interactions of Phen or 2,2'-Bipy molecules of two neighboring complexes giving rise to dimeric molecular ensembles.


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