Dodecanuclear rhenium cluster complexes with an interstitial carbon atom: Synthesis, structures and properties of two new compounds K6[Re12CS17(OH)6]·4H2O and Na12Re12CS17(SO3)6·48.5H2O

The dodecanuclear rhenium anionic complex with terminal hydroxo ligands [Re12CS17(OH)6]6− was obtained by the reaction of K6[Re12CS17(CN)6]·20H2O with molten KOH at 300 °C. The reaction between K6[Re12CS17(OH)6]·4H2O and Na2S2O4 in water under reflux results in the formation of the complex Na12[Re12CS17(SO3)6]·48.5H2O. Both new compounds were characterized by single-crystal X-ray diffraction, elemental analyses and IR spectroscopy. The electronic structure of [Re12CS17(OH)6]6− was also elucidated by DFT calculations.