Charge‐Assisted Halogen Bonding in an Ionic Cavity of a Coordination Cage Based on a Copper(I) Iodide Cluster

The design of molecular containers capable selectively binding specific guest molecules presents an interesting synthetic challenge in supramolecular chemistry. Here, we report the synthesis and structure a coordination cage assembled from Cu3I4− clusters tripodal cationic N-donor ligands. Owing to localized permanent charges ligand core binds iodide anions regions within through ionic interactions. This allows selective bromomethanes as secondary species promoted by halogen bonding, which was confirmed single-crystal X-ray diffraction.