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International Union of Crystallography, Acta Crystallographica Section B: Structural Science, 3(57), p. 261-270, 2001

DOI: 10.1107/s010876810100297x

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Study of rare-earth π-complexes by means of Voronoi–Dirichlet polyhedra

Journal article published in 2001 by O. A. Blatova, Blatov Va, Blatova Oa, V. A. Blatov ORCID, V. N. Serezhkin
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

An investigation of 135 pi-complexes of rare-earth atoms (Ln) was carried out with Voronoi-Dirichlet polyhedra. A novel method for the evaluation of the sizes of polyatomic ligands and steric effects in the structure of organometallic compounds was developed. The dependence of the domain size for Ln atoms on their nature, coordinating number and oxidation state was studied. The reasons for the occurrence of agostic Ln-H contacts were considered with a geometrical-topological analysis.