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

ABSTRACT: The title compound, [Fe₂(C₄₄H₂₈N₄O)₂O], was obtained as a by-product during the synthesis of Fe^III tetra-phenyl-porphyrin perchlorate. It crystallizes as a new polymorphic modification in addition to the ortho-rhom-bic form previously reported [Hoffman et al. (1972 ▸). J. Am. Chem. Soc. 94, 3620-3626; Swepston & Ibers (1985 ▸) Acta Cryst. C41, 671-673; Kooijmann et al. (2007 ▸). Private Communication (refcode 667666). CCDC, Cambridge, England]. In its crystal structure, the two crystallographically independent Fe^III cations are coordinated in a square-planar environment by the four N atoms of a tetra-phenyl-porphyrin ligand. The Fe^III-tetra-phenyl-porphyrine units are linked by a μ₂-oxido ligand into a dimer with an Fe-O-Fe angle close to linearity. The final coordination sphere for each Fe^III atom is square-pyramidal with the μ₂-oxido ligand in the apical position. The crystal under investigation consisted of two domains in a ratio of 0.691 (3): 0.309 (3).

SUBMITTER: Peters MK 

PROVIDER: S-EPMC6658976 | biostudies-literature | 2019 Jun

REPOSITORIES: biostudies-literature