Molecular structures of M(tfac)3 (M=Al, Co) and Cu(H2O)(fod)2 : Examples of unusual supramolecular architecture

Abstract

The molecular structures of Al(tfac)3 (1), Co(tfac)3 (2) (H-tfac = 1,1,1-trifluoroacetylacetone) and Cu(H2O)(fod)2 (3) (H-fod = 1,1,1,2,2,3,3-hepta-fluoro-7,7-dimethyloctane-4,6-dione) have been determined. The metal coordination spheres in compounds 1 and 2 are essentially the same as the respective M(acac)3 derivatives. Despite the isomorphous nature of the structures of compounds 1 and 2, the identity of the nearest intermolecular van der Waals contacts are altered by minor changes in the metal coordination sphere. The geometry about copper in compound 3 is close to that of an ideal square bipyramid with the β-diketonate ligands occupying the basal plane. The water ligand in each molecule of compound 3 is hydrogen bonded to an oxygen of a β-diketonate ligand on an adjacent molecule resulting in the formation of dimers, which form rods along the y-axis due to weak C–F···Cu interactions. Crystal data: (1) orthorhombic, Pca21, a = 14.949(3), b = 19.806(4), c = 13.624(3) A, V = 4033(1) A3, and Z = 8, and (2) orthorhombic, Pca21, a = 14.930(3), b = 19.620(4), c = 13.540(3) A, V = 3966(1) A3, and Z = 8,; (3) monoclinic, P21/c, a = 12.447(3), b = 10.486(2) c = 21.980(4) A, β = 102.65(3)°, V = 2799(1) A3, and Z = 4.