Abstract
We recently introduced multidentate halogen-bonding receptors based on C-iodinated ortho-Carborane moieties. Following up on our results in solution, which indicated a second binding event for sub-stochiometric concentrations of halide guests, we herein present a systematic co-crystallization study with halides to further evaluate the halogen-bonding capacities of these halogen-bonding catalysts. The obtained solid-state structures include two rare examples of octahedral coordination via halogen bonding of a halide ion by a pair of tridentate receptors.