General pore shapes have already been listed in the context of porous organic cages. From the 20 pores (cages) identified, we focus on those having a ditopic (2connected) linker. There are 15 pore shapes that meet this criterion, as shown in Figure , we adopt the pore nomenclature and topologies from the organic cage topology classification designed by Jelfs and coworkers. The pore structures are constructed with metal nodes of radius ≈5Å, chosen to reproduce the approximate size of the Zr 6 O building block, and benzene-1,4-dicarboxylic acid (bdc) and poly(1,4-benzenedicarboxylic acid) (pbdc) for the ditopic linkers. The orientation of the benzene plane is placed such that the structure will have the highest symmetry point group. Accordingly, the hydrogen atoms on the benzene linker could be located in two distinct positions, pointing into the centre of the pore or pointing outside the pore. Topology and Nomenclature adopted from the work of Jelfs and coworkers. Upper line is the tritopic + ditopic topology family, vertices are in blue, ditopic linkers in purple. Lower line is the tetratopic + ditopic topology family, vertices are in orange, ditopic linkers in purple. Of these topologies, the 𝑇 𝑒𝑡 2 4 𝐷𝑖 8 topology is excluded from this work as no crystal structures of this topology are yet reported and the topology is not contained within the stk package. The functional group added to the linker is a Nitrogen atom (representing an amine group) with C-N bond distance 1.47Å and the FG-FG distance is measured between two nitrogen atoms. An example of a pore structure, 𝑇 𝑒𝑡 2 𝐷𝑖 4 , constructed using these rules is presented in Figure . The enumeration performed to the pore structure is based on 1x-functionalization or one functional group per linker. The pore structures are constructed partly using the python package supramolecular toolkit (stk). The procedure to generate and enumerate the isomers of each pore is as follows: