The x-ray crystal and molecular structure of chloro-α,β,γ,δ-tetraphenylporphinatopyridinegallium(III)

Crystals of the title compound C₄₉H₃₃N₅ClGa·1/2C₅H₅N·1/2C₅H₁₂ [Ga(py)(Cl)(TPP)]·1/2(py)·1/2(n-pen) are monoclinic, P2₁/n, a = 13.162(2), b = 23.422(6), c, = 14.677(2) Å, β = 101.47(1)°, and Z = 4. The crystal structure refined to R = 0.056 for 2249 observed reflections. The coordination polyhedron of the gallium atom is an octahedron, and the distances between the central metal and axial ligands are Ga-Cl = 2.328(1) and Ga-py = 2.274(3) Å. The gallium atom is displaced slightly out of the porphyrin plane towards Cl, 0.14 Å from the 4N plane and 0.16 Å from the mean porphinato plane, with an average Ga-N distance of 2.01 Å. Although the complex is isostructural with the Mn and Co analogs, it is the first reported structure of a monomeric hexacoordinate gallium(III) porphyrin.