An octanuclear iron(III) isobutyrate wheel

Acta Crystallogr C. 2011 Dec;67(Pt 12):m371-4. doi: 10.1107/S010827011104412X. Epub 2011 Nov 5.

Abstract

The reaction of the μ(3)-oxido-centred trinuclear isobutyrate cluster [Fe(3)O(O(2)CCHMe(2))(6)(H(2)O)(3)](+) with an excess of phenol (PhOH) in chloroform produces a novel octanuclear Fe(III) cluster, cyclo-tetra-μ(2)-hydroxido-dodeca-μ(2)-isobutyrato-κ(24)O:O'-octa-μ(2)-phenolato-κ(16)O:O'-octairon(III) phenol hexasolvate monohydrate, [Fe(8)(C(4)H(7)O(2))(12)(C(6)H(5)O)(8)(OH)(4)]·6C(6)H(5)OH·H(2)O. The neutral cluster is located about a centre of inversion and consists of a planar ring of eight Fe(III) centres with two types of bridges between adjacent Fe atoms: each Fe atom is bridged to one of its neighbours by a μ-hydroxide and two 1,3-bridging carboxylates, or by two phenolate and one 1,3-bridging isobutyrate ligand. The cavity within the {Fe(8)} wheel is occupied by a disordered water molecule. Intermolecular O-H···O hydrogen bonds and C-H···π interactions connect the clusters and the phenol solvent molecules to form a three-dimensional network.