Abstract
The title compound, (C6H16N)[Fe3(CH3CO2)8O(H2O)]·C7H8, was serendipitously crystallized from a reaction of disilanol with iron(II) acetate. The trinuclear acetatoferrate(III) anion has a triethylammonium cation as the counterion. The three Fe atoms lie on the vertices of a regular triangle and are octahedrally coordinated. The complete coordination of the anion includes shared ligands among the three metal ions: a central tribridging O atom and six bidentate bridging acetyl groups. The six-coordinations of two of the metal ions are completed by a monodentate acetate ligand, whereas that of the third metal ion is completed by a water molecule. The uncoordinated triethylammonium cation is involved in N—H⋯O hydrogen bonding to a singly coordinated acetyl group. The coordinated aqua molecule is involved in bifurcated O—H⋯O hydrogen bonding. C—H⋯O interactions are also observed. The toluene solvent molecule is disordered over two sets of sites in a 0.609 (11):0.391 (11) ratio.
Highlights
The title compound, (C6H16N)[Fe3(CH3CO2)8O(H2O)]ÁC7H8, was serendipitously crystallized from a reaction of disilanol with iron(II) acetate
The six-coordinations of two of the metal ions are completed by a monodentate acetate ligand, whereas that of the third metal ion is completed by a water molecule
The uncoordinated triethylammonium cation is involved in N— HÁ Á ÁO hydrogen bonding to a singly coordinated acetyl group
Summary
Key indicators: single-crystal X-ray study; T = 100 K; mean (C–C) = 0.008 A; disorder in solvent or counterion; R factor = 0.040; wR factor = 0.099; data-toparameter ratio = 13.0. The trinuclear acetatoferrate(III) anion has a triethylammonium cation as the counterion. The complete coordination of the anion includes shared ligands among the three metal ions: a central tribridging O atom and six bidentate bridging acetyl groups. The six-coordinations of two of the metal ions are completed by a monodentate acetate ligand, whereas that of the third metal ion is completed by a water molecule. The uncoordinated triethylammonium cation is involved in N— HÁ Á ÁO hydrogen bonding to a singly coordinated acetyl group. The coordinated aqua molecule is involved in bifurcated O— HÁ Á ÁO hydrogen bonding. The toluene solvent molecule is disordered over two sets of sites in a 0.609 (11):0.391 (11) ratio
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