{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

Abstract

Key indicators: single-crystal X-ray study; T = 100 K; mean (C-C) = 0.003 Å; R factor = 0.039; wR factor = 0.108; data-to-parameter ratio = 14.7.The title compound, [Co(C 10 H 10 BF 6 N 4 )(C 15 H 13 BF 9 N 6 )], is a neutral Co II 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-HÁ Á ÁCo interaction (HÁ Á ÁCo = 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 (101) planes, and the layers are linked along the a axis by C-HÁ Á ÁF hydrogen bonds. An intramolecular C-HÁ Á ÁF interaction also occurs. Related literature

A second monoclinic polymorph of {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

“…The result is a distorted octahedral coordination geometry. Compound (I) is a polymorph of a previously reported structure of the same compound (II) (Stibrany & Potenza, 2010). The present polymorph was the result of a ligand displacement reaction in which a Tp ligand was added to a preformed Co(Bp) 2 complex to form (I).…”