Preparation and crystal structure of a quadruply bonded dimolybdenum complex with trans-crotonate ligands

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Department of Chemistry


A quadruply bonded dimolybdenum complex with trans-crotonate ligands, Mo2(O2CC3H5)4, was synthesized and characterized by UV–VIS, IR, and NMR spectra. The crystal structure was determined by an X-ray single crystal diffraction analysis. The title complex (C16H20O8Mo2, Mw = 532.2) crystallized in the triclinic space group P-1 with the following crystallographic parameters: a = 10.236(2) A, ˚ b = 10.393(2) A, ˚ c = 10.524(2) A, ˚ α = 89.59(1)◦, β = 73.34(1)◦, γ = 70.78(2)◦, V = 1008.1(3) A˚ 3, Z = 2, Dc = 1.753 Mg m−3, µ(Mo Kα = 0.71073 A, ˚ F(000) = 528, and final R1 = 0.041, wR2 = 0.114 for observed reflections 2889 (I > 2σ(I)). The Mo2 4+ unit was surrounded by four trans-crotonate ligands resulting in a paddle wheel structure with one disordered trans-crotonate ligand. Molecules are bonded together by means of interactions consisting of the donation of lone pairs of electron on carboxylate O atoms on one molecule to the Mo atom on an adjacent complex. A new pattern of intermolecular bonding is observed.

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Journal of Chemical Crystallography