Topology versus porosity: what can reticular chemistry tell us about free space in metal-organic frameworks?

Chem Commun (Camb). 2020 Aug 28;56(67):9616-9619. doi: 10.1039/d0cc04004e. Epub 2020 Jul 23.

Abstract

We present the results of a comprehensive geometrical and topological analysis of 3D coordination networks in 33 790 coordination polymers. We have found relations between topological descriptors and free space of the networks, and have revealed topological types that promote high porosity of metal-organic frameworks.