The reaction of [Fe4S4I2(SC(NMe2)2)2] with racemic trans-1,2-bis(3-methylthioureido)-cyclohexane in tetrahydrofuran (thf) yields [Fe4S4I2(C6H10(NHCSNHMe)2)] · 4 thf (2). 2 crystallizes in the monoclinic space group C 2/c with a = 1471.7(2), b = 1329.7(2), c = 2339.3(3) pm, β = 107.70(1), V = 4362.3 × 106 pm3, Z = 4, R = 0.057. The cluster exhibits C2 symmetry in the solid state. The replacement of the monodentate neutral ligands results in a cluster in which the bifunctional thiourea derivative

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... bridges two different iron sites of the slightly compressed [Fe4S4] core. The most striking feature are the differences of the Fe–Fe distances which are 269.8 pm between thiourea coordinated atoms and 280.7 pm between Fe atoms with iodide ligation. The Fe–S thiourea distance was found to be 229.3 pm.