Crystal structure of a polymorph of -oxido-bis-[(5,10,15,20-tetra-phenyl-porphyrinato)iron(III)].

The title compound, [Fe(CHNO)O], was obtained as a by-product during the synthesis of Fe tetra-phenyl-porphyrin perchlorate. It crystallizes as a new polymorphic modification in addition to the ortho-rhom-bic form previously reported [Hoffman (1972 ▸). , 3620-3626; Swepston & Ibers (1985 ▸) C, 671-673; Kooijmann (2007 ▸). Private Communication (refcode 667666). CCDC, Cambridge, England]. In its crystal structure, the two crystallographically independent Fe cations are coordinated in a square-planar environment by the four N atoms of a tetra-phenyl-porphyrin ligand. The Fe-tetra-phenyl-porphyrine units are linked by a μ-oxido ligand into a dimer with an Fe-O-Fe angle close to linearity. The final coordination sphere for each Fe atom is square-pyramidal with the μ-oxido ligand in the apical position. The crystal under investigation consisted of two domains in a ratio of 0.691 (3): 0.309 (3).