To identify CS structures for this study, the CSD was searched based on the ZnX 2 (X = Cl, Br, I) and tpt ligand features of the (ZnX 2 ) 3 (tpt) 2 framework. The subset of CS structures were chosen from the resulting CSD hits and selected based on the following criteria: (1) the guest molecule satisfies Lipinski's Rule of Five, (2) no solvent masking methods have been used in the structure refinement, and (3) there is minimal residual solvent accessible void space. The number of rotatable bonds, excluding methyl groups, was also considered to ensure the set of molecules included the full range of possible guest flexibility.