As the presented MOFs are composed of a variety of distinct Zr(EA)4 isomers, we have attempted to classify those with ZrO8 square antiprism and ZrO7 monocapped triangular prism coordination geometries to systematically distinguish them from one another and to predict other possible isomers. Considering the ZrO8 coordination environment with four ellagate With six different ways to pair oxygen vertices, each with 16 possible ellagate orientations, a total of 96 combinations were modelled. A simplified representation of these square antiprism isomers and all 96 combinations are presented in Supplementary Fig. -19. However, many of these are redundant as they are related by rotation. Considering this, we have identified 21 unique chiral pairs of isomers of Zr(EA)4 square antiprisms, resulting in a total of 42 isomers. It should be noted that all the synthesized MOFs are centrosymmetric and thus each structure consists of both enantiomers. However, only three of these 21 isomer pairs have been observed in the reported MOFs so far. As such, the three isomers described herein are, while possibly energetically favourable, just scratching the surface in terms of structural diversity in this system.