Synthesis and structure of barium complex containing 2, 2, 6, 6-tetramethyl-3, 5-heptanedionate and 1, 10-phenanthroline ligands

The title complex Ba(thd)(2)(phen)(2)(thd = 2,2,6,6-tetramethyl-2,5-heptane dionate, phen = 1,10-phenanthroline) (C46H54O4N4Ba, M-r = 864.29) was prepa red by the reaction of barium dichloride dihydrate with 2,2,6,6-tetramethyl -3,5-heptanedione and 1,10-phenanthroline in DME(DME = MeOCH2CH2OMe) and wa s characterized by X-ray diffraction analysis. The title complex crystalliz ed in monoclinic system, space group P2(1)/n (#14) with a = 12.542(2), b = 19.881(3), c = 18.253(3) Angstrom, beta = 105.50(1)degrees, V = 4385(1) Ang strom (3), Z = 4, D-c = 1.309g/cm(3), F(000) = 1784.00, mu = 9.50cm(-1). Th e final R = 0.033 and R-omega = 0.043 for 5728 observed reflections with I greater than or equal to3 sigma (I). The crystal structure shows the beta - diketonate ligand coordinated to barium with a delocalized pi bond. The mea n bond distances of Ba - N and Ba - O are 2.949 Angstrom and 2.657 Angstrom , respectively.