Fig. 1.

Crystal structures and ligands of isoreticular DUT-49 derivatives. a Trimodal pore system: octahedral (oct, orange), tetrahedral (tet, blue), cuboctahedral (cub, green). b Crystal structures of open pore (op) of DUT-48, -46, -49, -50, and non-interpenetrated DUT-151 from left to right including respective lattice parameter of the cubic unit cells with Fm$\overline{3}$m symmetry. Conformation of ligands L₁–L₅ before (c) and after (d) structural contraction. e Crystal structures of contracted pore (cp) structures of DUT-48, 46, 49, 50, and non-interpenetrated DUT-151 from left to right including respective lattice parameter of the cubic unit cells with Pa$\overline{3}$ symmetry. Lattice constants for the structures were obtained by relaxation using force fields which were found to describe the behaviour of DUT-49 well^{29, 37}. Colour code: hydrogen (white), carbon (grey), nitrogen (blue), oxygen (red), and copper (turquois)