Abstract

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.

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