The patches on particles i and j are labelled α and β respectively. A 2D representation of the patchy particle is shown in Figure . For the simulations here, σ LJ , normally the measure of the diameter of the particles, is set to 0.75 Å for the patches leading to slipped window-towindow configurations, and 0.95 Å for window-to-arene interactions. For the patches between the window-to-arene packing, this value is slightly larger than the minimum distance between the hard truncated tetrahedra. This is to allow for a small gap between the hard particles, which would exist between neighbouring cages due to their van der Waals radii. For the patches leading to window-to-window packing, this value is only marginally larger than their closest point (1/ √ 2) as the cages have to be very close in order to have overlap between the aromatic rings on the truncated facets and vertices. r is a measure of the distance between the centroids of the neighbouring particles, and the cutoff distance, r cut , is set to 1.92σ LJ for the smallest σ LJ , i.e. the window-to-window interaction, so that the patches interact only with nearest neighbour polyhedra. J is the measure of the interaction strength between the hard truncated tetrahedra.