Jump to main content
Jump to site search

Issue 12, 2011
Previous Article Next Article

Underlying nets in three-periodic coordination polymers: topology, taxonomy and prediction from a computer-aided analysis of the Cambridge Structural Database

Author affiliations

Abstract

We discuss a recently developed approach to formalize the analysis of extended architectures by successive simplifications of a crystal structure perceived as a periodic net. The approach has been implemented into the program package TOPOS that allows one to simplify and classify coordination polymers of any complexity in an automated mode. Using TOPOS, we retrieved 6620 3-periodic coordination polymers from the Cambridge Structural Database and represented them in a standard way as underlying nets. The topological classification of both 975 interpenetrating and 5645 single 3-periodic underlying nets has been performed and compared. The up-to-date methods for prediction of the topology of underlying nets are discussed and the ways to develop reticular chemistry are outlined.

Graphical abstract: Underlying nets in three-periodic coordination polymers: topology, taxonomy and prediction from a computer-aided analysis of the Cambridge Structural Database

Back to tab navigation

Supplementary files

Publication details

The article was received on 12 Sep 2010, accepted on 16 Mar 2011 and first published on 13 Apr 2011


Article type: Highlight
DOI: 10.1039/C0CE00636J
Citation: CrystEngComm, 2011,13, 3947-3958
  •   Request permissions

    Underlying nets in three-periodic coordination polymers: topology, taxonomy and prediction from a computer-aided analysis of the Cambridge Structural Database

    E. V. Alexandrov, V. A. Blatov, A. V. Kochetkov and D. M. Proserpio, CrystEngComm, 2011, 13, 3947
    DOI: 10.1039/C0CE00636J

Search articles by author

Spotlight

Advertisements