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
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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