Modes of coordination and stereochemistry of nitrate groups in organic and organometallic nitratesстатья
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Аннотация:Stereochemical features of nitrate groups in the structures of 3856 organic and organometallic compounds are generalized with use of the TOPOS program package designed for geometrical and topological analysis. Nitrate groups are classified according to coordination modes using Voronoi-Dirichlet polyhedra and a method of intersecting spheres. The main coordination mode is shown to be terminal bidentate (42% from the test dataset of nitrate groups). The occurrence of the bridging mode is much lower compared with inorganic nitrates (3.2%). The essential part of nitrate groups are not coordinated to complexing atoms, being linked to their environment through hydrogen and ionic bonds (41%). The relationship that exists between structural and crystallochemical features of nitrate groups is elucidated, including the involvement in coordination to complexing atoms of different nature.
Key words
nitrate anion crystal structure stereochemistry denticity coordination modes of ligands Voronoi-Dirichlet polyhedra