Crystalline Inclusion Compounds of a Palladacyclic Tetraol Host Featuring o-Carborane Units

A new neutral host Pd2L2 metallacycle, featuring a bulky bis[3-pyridyl(hydroxy)methyl]-1,2-dicarba-closo-dodecaborane, is synthesized, and seven crystalline inclusion compounds are obtained from DMF, DMSO, EtOAc, and THF, with the last four acting as guest solvents. Single-crystal X-ray diffraction structural analysis shows the formation of 1:n (n = 6-8) host/guest crystals, indicating a high stoichiometric ratio of included solvent. Single-crystal X-ray diffraction analyses of all structures reveal a supramolecular ordering of the palladacycles in the solid state, through extensive hydrogen bonding or intermolecular contacts, mainly between the host and the guest molecules.