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

Acta Crystallographica. Section E, Crystallographic Communications
Morten K PetersRainer Herges

Abstract

The title compound, [Fe2(C44H28N4O)2O], was obtained as a by-product during the synthesis of FeIII 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 FeIII cations are coordinated in a square-planar environment by the four N atoms of a tetra-phenyl-porphyrin ligand. The FeIII-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 FeIII 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).

Methods Mentioned

BETA
NMR
X-ray

Software Mentioned

PLATON
AREA

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