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The suitability of [{(η⁵-C₅H₅)Fe(η⁵-C₅H₄)}₄(η⁴-C₄)Co(η⁵-C₅H₅)][PF₆]₂, [1][PF₆]₂, for use as a molecular quantum cellular automata (QCA) cell is demonstrated. To this end the structure of 1 in the solid state and the conversion of 1 to mono- and dicationic mixed-valence complexes have been accomplished. The latter compounds have been isolated as pure materials and characterized by IR, EPR, and Mössbauer spectroscopies and single-crystal XRD (monocation only) and magnetic susceptibility measurements. Near-IR spectra demonstrate the mixed valence character of the cations (valence trapped on the IR, EPR and Mössbauer time scales), and the energies of the intervalence charge-transfer bands provide a measure of the hole hopping frequency.