Data di Pubblicazione:
2009
Citazione:
Topological relations between three-periodic nets. II. Binodal nets / V.A. Blatov, D.M. Proserpio. - In: ACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS OF CRYSTALLOGRAPHY. - ISSN 0108-7673. - 65:3(2009), pp. 202-212. [10.1107/S0108767309006096]
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 structure
Tipologia IRIS:
01 - Articolo su periodico
Elenco autori:
V.A. Blatov, D.M. Proserpio
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