MOLECULAR STRUCTURE AND REACTIONS OF PF6

Article abstract of DOI:10.1016/0022-328X(86)80545-9

The structure of PF6 (Ph-DAB = 1,4-phenyl-diaza-1,3-butadiene) has been determined.The complex crystallizes in space group P2₁/n of the monoclinic system, with 4 formula units in a cell of dimensions: a 15.136(1), b 17.842(1), c 17.363(1) Angstroem, β 106.7(1) deg.The structural data were refined by full matrix least squares methods to a conventional R index of 0.073 based on those 3309 reflections having I₀ > 3?(I₀).The coordination polyhedron around the rhodium may be regarded as a distorted octahedron with two hydride hydrogen atoms in cis position and two phosphine ligands bent towards the hydrides, making an angle P¹RhP² of 159.4(1) deg.The Ph-DAB acts as a ?,?',N,N'-chelating ligand with a planar N=C-C=N skeleton in the same plane as the rhodium.The structure is consistent with the 1H, 13C and 31P NMR data.The reactions of the title compound with CO, IMe and MeOOCC<*>CCOOMe has been investigated.In all cases evolution of H2 was observed.