Molecular solids comprised of octahedra, hexagonal plates, and truncated icosahedra result from the cocrystallization of Pd6Cl12, benzene and its methylated derivatives, and C-60. Solutions of bis(benzonitrile)palladium(II) dichloride in benzene deposit deep red crystals of solvate-free Pd6Cl12, 1, while solutions of bis(benzonitrile)palladium(II) dichloride in the following solvents or solutions produce binary or ternary compounds as follows : from mesitylene, Pd6Cl12.(CH3)(3)C6H3 (2); from mesitylene/benzene, Pd6Cl12.(CH3)(3)C6H3 . 0.5C(6)H(6) (3); from durene/benzene, Pd6Cl12.(CH3)(4)C6H2 (4); from benzene/hexamethylbenzene, Pd6Cl12. 1.5(CH3)(6)C-6 (5); from benzene/biphenyl, Pd6Cl12.(C6H5)(2) (6); and from benzene/fullerene C-60, Pd6Cl12. 0.5C(60). 1.5C(6)H(6) (7) The geometric structures of each of these seven compounds have been determined by X-ray crystallography, and the electronic structure of Pd6Cl12 has been probed with SCF-X alpha-SW calculations. : from mesitylene, Pd6Cl12.(CH3)(3)C6H3 (2); from mesitylene/benzene, Pd6Cl12.(CH3)(3)C6H3 . 0.5C(6)H(6) (3); from durene/benzene, Pd6Cl12.(CH3)(4)C6H2 (4); from benzene/hexamethylbenzene, Pd6Cl12. 1.5(CH3)(6)C-6 (5); from benzene/biphenyl, Pd6Cl12.(C6H5)(2) (6); and from benzene/fullerene C-60, Pd6Cl12. 0.5C(60). 1.5C(6)H(6) (7) The geometric structures of each of these seven compounds have been determined by X-ray crystallography, and the electronic structure of Pd6Cl12 has been probed with SCF-X alpha-SW calculations. : from mesitylene, Pd6Cl12.(CH3)(3)C6H3 (2); from mesitylene/benzene, Pd6Cl12.(CH3)(3)C6H3 . 0.5C(6)H(6) (3); from durene/benzene, Pd6Cl12.(CH3)(4)C6H2 (4); from benzene/hexamethylbenzene, Pd6Cl12. 1.5(CH3)(6)C-6 (5); from benzene/biphenyl, Pd6Cl12.(C6H5)(2) (6); and from benzene/fullerene C-60, Pd6Cl12. 0.5C(60). 1.5C(6)H(6) (7) The geometric structures of each of these seven compounds have been determined by X-ray crystallography, and the electronic structure of Pd6Cl12 has been probed with SCF-X alpha-SW calculations.