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Topological relations between three-periodic nets. II. Binodal nets
Vladislav A Blatov1, Davide M Proserpio
1Samara State University, Ac. Pavlov St. 1, Samara 443011, Russia. blatov@ssu.samara.ru
Abstract:
The TOPOS program package was used to generate all subnets of 3- to 12-coordinated binodal nets taken from the Reticular Chemistry Structure Resource database. 38,304 binodal nets with novel topologies were revealed and stored in the TTD collection. A new invariant, the adjacency matrix of the shell graph of a node, is proposed to distinguish the node local topology. With this invariant, the first six examples of binodal-quasi-uninodal nets were discovered. 4604 organic and metal-organic frameworks were analyzed to find examples of the topologies generated. It was shown that many edge-transitive nets as well as unknown topologies occur in crystal structures.
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