Research Article: {Bis[5-methyl-3-(trifluoro­meth­yl)pyrazol-1-yl]borato}{tris­[5-methyl-3-(trifluoro­meth­yl)pyrazol-1-yl]borato}cobalt(II): a structure containing a B—H⋯Co agostic inter­action

Date Published: May 01, 2010

Publisher: International Union of Crystallography

Author(s): Robert T. Stibrany, Joseph A. Potenza.


The title compound, [Co(C10H10BF6N4)(C15H13BF9N6)], is a neutral CoII complex which contains one each of the anionic ligands, bis­(3-trifluoro­methyl-5-methyl­pyrazol-1-yl)borate (Bp) and tris­(3-trifluoro­methyl-5-methyl­pyrazol-1-yl)borate (Tp). A distorted octa­hedral coordination geometry results from ligation of an H atom, which is part of an agostic B—H⋯Co inter­action (H⋯Co = 2.17 Å), and by five imine N atoms, two from a Bp ligand and three from a Tp ligand. In the crystal, mol­ecules form layers parallel to the (10) planes, and the layers are linked along the a axis by C—H⋯F hydrogen bonds. An intra­molecular C—H⋯F inter­action also occurs.

Partial Text

For our study of nitro­gen-containing heterocyles, such as expanded-ring imidazoles, and their complexes with metal ions, see: Stibrany & Potenza (2009a ▶). For metal complexes with pyrazole, see: Stibrany & Potenza (2006 ▶, 2009b ▶); Stibrany et al. (1999 ▶, 2005 ▶, 2006 ▶). Copper and cobalt complexes utlizing the title ligand have been prepared for oxidation studies, see: Gorun et al. (2000 ▶). For agostic inter­actions, see: Ruman et al. (2001 ▶, 2002 ▶); Siemer et al. (2001 ▶); Ghosh et al. (1998 ▶).




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