Fig. 1: Structure and geometrical constraints of the MOF-5 structure type.
a Crystal structure of MOF-5 (CCDC deposition code 256965). Zn, O and C atoms are shown in blue, red and grey, respectively. H atoms are omitted. b Simplified building block representation of the structure of MOF-5. c Rhombohedral distortion of a cube along its body diagonal. d Abstraction path of the actual chemical structure towards the respective geometries of its building units as shown in the simplified building block representation (b). Arrows symbolize the required movements of these building units (that is, [Zn4O]6+ and bdc2–) in case of the rhombohedral distortion. e Schematic for the preparation of alkoxy-functionalized MOF-5-CX derivatives. Dispersion energy donors (DEDs) are marked as green spheres. The atom colour code is the same as in (a).
