New metal–organic wheel and axle diols of general formula [Pd(ligand)2X2] (X = Cl, Br, I) are designed and synthesised, with the aim to study their inclusion properties. In particular, the overall shape of the complexes (bulkiness of the terminal groups, length of the axle) is varied by a judicious choice of the ligands and the effects of these changes on the packing are investigated. By means of the X-ray single crystal structure determination of several mono- and bis-solvate complexes, it was possible to hypothesize the structural rearrangements that go with the release of the guest.
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