Crystal and molecular structure of tris (1,3-diphenylpropane-1,3-dionato)cobalt(III)

Abstract

Abstract The title compound appeared to be isomorphous and isostructural to one of two polymorphs of the corresponding iron(III) complexes. The crystals of the complex belong to the triclinic system, space group P[unk]. The cell dimensions are: a = 9.851(3) Å, b = 10.647(3) Å, c = 18.008(6) Å, α = 93.44(2)°, β = 94.91(2)°, γ = 107.14(2)°, V = 179(1) Å3, Z = 2, μ(MoKα = 0.52 mm−1), Dx = 1.351 gcm−3. Data collection was made with Philips PW1100 (STOE upgraded) automatic diffractometer using MoKα radiation. The structure was solved by the heavy-atom method and refined by least-squares techniques to a conventional R factor 0.034 for 2997 unique reflections. The structure is built up of discrete molecules separated by normal van der Waals distances. The cobalt atom coordination is distorted octahedrally with an averaged Co–O bond length 1.833(3) Å. The rotational orientation of the terminal phenyl rings with regard to the plane of the chelate ring are dictated by both electronic and dominant steric effect.