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

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-he pta-fluoro-7,7-dimethyloctane-4,6-dione) have been determined. The metal co ordination spheres in compounds 1 and 2 are essentially the same as the res pective M(acac)(3) derivatives. Despite the isomorphous nature of the struc tures of compounds 1 and 2, the identity of the nearest intermolecular van der Waals contacts are altered by minor changes in the metal coordination s phere. The geometry about copper in compound 3 is close to that of an ideal square bipyramid with the beta-diketonate ligands occupying the basal plan e. The water ligand in each molecule of compound 3 is hydrogen bonded to an oxygen of a beta-diketonate ligand on an adjacent molecule resulting in th e formation of dimers, which form rods along the y-axis due to weak C-F ... Cu interactions. Crystal data: (1) orthorhombic, Pca2(1), a = 14.949(3), b = 19.806(4), c = 13.624(3) Angstrom, V = 4033(1) Angstrom(3), and Z = 8, a nd (2) orthorhombic, Pca2(1), a = 14.930(3), b = 19.620(4), c = 13.540(3) A ngstrom, V = 3966(1) Angstrom(3), and Z = 8,; (3) monoclinic, P2(1)/c, a = 12.447(3), b = 10.486(2) c = 21.980(4) Angstrom, beta = 102.65(3)degrees, V = 2799(1) Angstrom(3), and Z = 4.