The crystal structure of hydridotetrakis(trifluorophosphine)cobalt(I), CoH(PF3)4, has been determined from three-dimensional X-ray data collected by photographic methods at –125°. The material, as grown from the liquid phase, crystallizes in the monoclinic system, space group C2h6-C2/c, with four molecules in a cell of dimensions a = 13.02 (1), b = 7.63 (1), c = 13.08 (1) Å, and β = 122.4 (1)°. The calculated density is 2.49 g/cm3. The structure has been solved by standard methods and refined by full-matrix least-squares methods to a final R factor on F of 0.11, based on 664 visually estimated intensities. The CoH(PF3)4 molecule is required crystallographically to possess C2 symmetry. There is a distorted tetrahedron of PF3 groups about the Co atom, the P–Co–P angles being 101.8 (3), 108.2 (2), 109.7 (2), and 118.0 (2)°. Various positions for the H atom, which was not located, are considered in terms of the distorted geometry of the molecule. A model is favored in which the H atom occupies an apical position of a distorted trigonal bipyramid. The Co–P distances average 2.052 (5) Å, indicative of considerably more multiple bonding than in metal–PR3 bonds, where R is alkyl or aryl.
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Inorganic Chemistry