Single crystal X-ray crystallography (see the SI for full details) reveals that 1-3 crystallise in triclinic (1, 2) and monoclinic (3) crystal systems and structure solution was performed in the P-1 (1, 2) and P21/c (3) space groups (Table ). All three cages possess the same general structure (Figure , Tables ), with the host framework conforming to the well-known lantern-like [M2L4] 4+ cage. The Cu II ions in 1 are six coordinate and in Jahn-Teller (JT) distorted octahedral geometries (Cu -NL = 1.99 -2.06 Å; Cu -O = 2.32 -2.62 Å; cis, 87-94°; trans, 176-177°), with triflate ions bonded in the outward facing apical sites and a combination of a single triflate and a water molecule bound in the inward facing apical positions, presumably because two internally bound anions would be prohibited due to space constraints. Charge balance is maintained through the presence of an additional triflate anion that lies outwith the cage, but with close contacts to both the Ph groups of the L ligand (C(H)•••O/F, 3.2-3.6 Å) and to the apical OTf molecule (O/F•••O/F, 2.6-2.9 Å). The sole MeCN of crystallisation is H-bonded to the H2O molecule (O(H)•••N, 2.97 Å) and therefore partially occupies the cavity of cage, protruding out between two L ligands. The L ligands of neighbouring cages interdigitate with C(Ph)•••C(Ph) distances >3.5 Å which, alongside the distorted/flexible Cu geometry and the presence of anions/solvents, may account for the severe twisting of the L ligand geometry (Figure ) enforcing a reduction from the pseudo tetragonal symmetry of the [Pd2L4] 4+ cage. From analysis of the extended structures in 2-3, it is clear that both the guest anion and the crystallographic symmetry also play a key role in dictating molecular symmetry (Figure ). For example, there are two orientations of the cage in 3 compared to one orientation in all the other cages and no uncoordinated anions, leading to a distinctly different packing arrangement in the crystal.