Overall, both the full guest assay with cage 1, and the subset assays with cage 2 and cage 3, have yielded a wealth of information into the binding behavior of this class of MOCs. This richness of data is not commonly recorded, nor is it reported in the literature. This study reveals that even subtle changes in counterion identity and ligand substitution have a measurable effect on guest-binding properties, further contextualizing the requirement for an automated workflow in both the automated synthesis and property screening of a range of MOCs on a reasonable timescale to elucidate trends and find applications within industrial molecular separations.