title: New class of verdoheme analogues with weakly coordinating anions: the structure of (mu-oxo)bis[(octaethyloxoporphinato)iron(III)] hexafluorophosphate.
abstract: Three new verdoheme analogues with weakly coordinating anions, [OEOPFe(II)X], where OEOP is the monoanion of octaethyloxoporphyrin and X = PF(6), ClO(4), and BF(4), have been synthesized and characterized by spectroscopic methods. (1)H NMR spectroscopy reveals that the [OEOPFe(II)X] species are paramagnetic, and the iron is five-coordinate (S = 2). The oxidation of [OEOPFe(II)PF(6)] with dioxygen yields [(OEOPFe)(2)O](PF(6))(2). The structure of (mu-oxo)bis[(octaethyloxoporphinato)iron(III)] has been determined by X-ray diffraction analysis. The eight Fe-N bond distances have an average value of 2.077(3) Angstroms. The oxygen atom sits on the inversion center, and the average axial Fe-O bond length is 1.756(3) Angstroms. The average displacement of the iron(III) atom from the mean porphinato core is 0.60 Angstroms. Crystal data: crystal system, monoclinic; a = 8.7114(10) Angstroms; b = 26.102(4) Angstroms; c = 15.8323(14) Angstroms; beta = 104.134(6) degrees ; space group P2(1)/c; V = 3491.1(7) Angstroms (3); Z = 2; R1 = 0.0546, wR2 =0.1145 for data with I > 2sigma(I).
authors.affiliation: Chemistry Department, University of Sistan & Baluchestan, Zahedan, Iran. mkhorasani@hamoon.usb.ac.ir
authors.forename: Mozhgan
authors.initials: M
authors.lastname: Khorasani-Motlagh
authors.forename: Nasser
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authors.lastname: Safari
authors.forename: Meissam
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authors.lastname: Noroozifar
authors.forename: Jilla
authors.initials: J
authors.lastname: Saffari
authors.forename: Mahtab
authors.initials: M
authors.lastname: Biabani
authors.forename: Júlio S
authors.initials: JS
authors.lastname: Rebouças
authors.forename: Brian O
authors.initials: BO
authors.lastname: Patrick