Acta Cryst. (2006). E62, m492-m495  [ doi:10.1107/S1600536806004636 ]

-Oxo-bis[(diethyl 6,17-dimethyldibenzo[a,h]-5,9,14,18-tetraaza[14]annulene-7,16-dicarboxylato)iron(III)] sesquihydrate

E.-G. Jäger, J. Knaudt and W. Imhof

Abstract: The title compound (systematic name: -oxo-bis{[4,15-bis(ethoxycarbonyl)-5,14-dimethyl-2,7,13,17-tetraazatricyclo[16.4.0.0^7,12]docosa-3,5,7,9,11,13,15,18(1),19,21-decaene-2,17-diido]iron(III)} sesquihydrate), [Fe₂(C₂₆H₂₆N₄O₄)O]·1.5H₂O, crystallizes in the monoclinic space group C2/c and has two iron centres which are coordinated by macrocyclic ligands with an N₄ donor set. These iron centres are bridged by a -oxo ligand, resulting in the formation of a dinuclear complex unit. The -oxo ligand interacts with a water molecule via strong hydrogen bonds. These solvent molecules aggregate by additional hydrogen bonds, producing a tetranuclear aggregate. Towards the outer rim of the cavity formed by the carboxyethyl substituents attached to the tetraaza-annulene systems there are additional solvent molecules. Due to much weaker hydrogen-bond interactions, the latter are disordered and have site-occupancy factors less than 1.

Online 15 February 2006

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