As for design rules, our results have started to establish a relationship between chemical functionality, solvent, and solid-state phase space as represented by our model. Cages synthesised with bulkier diamine vertices (e.g. CC3, CC9, and CC10) tend to sit at lower values of σ ang than less bulky cages such as CC1 (Table ). Additionally, the inclusion of solvent, as in the case of structures formed by CC3 and CC4, leads to low values of σ ang .