All lattice energy calculations were performed with the DMACRYS crystal structure modelling software, and structures up to 100 kJ mol -1 above the global minimum were kept, as highly porous structures can occupy very high energy regions of the lattice energy landscape. This led to CSP landscapes with relatively large numbers of hypothetical structures; for example, for TBAP, the 28 conformers led to a CSP landscape with over 100,000 independent hypothetical crystal structures within 100 kJ mol -1 of the global minimum in the 25 space groups studied (Figure ). Full details of the crystal structure prediction methods are provided in the Supporting Information.