Supramolecular adduct of the heterometal cubane complex [ClPdMo3S4(H2O)(6)Cl-3] with the macrocyclic cavitand cucurbituril: Synthesis and crystal structure

The supramolecular adduct {[ClPdMo3S4(H2O)(6)Cl-3][PyH subset of C36H36N24O 12]}Cl . 14H(2)O (I) was prepared in 63% yield by the reaction of solutions of the heterometal cubane aqua complex [ClPdMo3S4(H2O)(9)](3+) and the mac rocyclic cavitand cucurbituril in 2 M HCl in the presence of excess pyridin e. According to X-ray diffraction data for a single crystal of I, the inner cavity of cucurbituril is occupied by the pyridinium cation, and the six w ater molecules (hydrogen-bond donors) coordinated to molybdenum atoms are c omplementary to the oxygen atoms of the cucurbituril carbonyl groups (hydro gen-bond accepters).