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Journal of Structural Chemistry

2012 year, number 3

X-RAY STUDY OF THE THIRD POLYMORPHIC STRUCTURE OF Ој-OXO-BIS[(OCTAETHYLPORPHINATO) IRON(III)]: [(OEPFe)2O)]

M. Khorasani-motlagh1, M. Noroozifar1, J. Saffari1, B.O. Patrick2
1 Chemistry Department, University of Sistan & Baluchestan
2 Chemistry Department, University of British Columbia
mkhorasani@chem.usb.ac.ir
Keywords: heme, iron(III), octaethylporphyrin, oxo-dimer, crystal structure
Pages: 598-602

Abstract

Exposure of dichloromethane solution of [OEPFeIIICl], where OEP is the dianion of octaethylporphyrin, to dioxygen results in its transformation into the ј-oxo bridged compound [(OEPFe)2O)]. The structure of [(OEPFe)2O)] is determined by X-ray diffraction analysis. It contains binuclear centrosymmetric [(OEPFe)2O]. The Fe atom is five-coordinated to four N atoms of the porphyrin ring and to one bridging O atom. The compound is characterized by an average Fe-N bond length of 2.096 Е. The Fe-O bond distance is 1.7739(12) Е, the Fe-O-Fe bond angle is 180.0° and the two porphyrin rings are parallel. Crystal dat a: triclinic crystal system, a = 10.915(4), b = 12.951(4), c = 13.403(4) Е, ± = 118.06(1)°, І = 100.33(1)°, і = 102.43°, P space group, V = 1144.5(1) Е3, Z = 1.