X-Ray crystal structure of acetatohydridotris(triphenylphosphine)ruthenium(II): a hydrogenation catalyst with a strained octahedral co-ordination

Abstract

The crystal structure of the title compound has been determined from three-dimensional X-ray data by Patterson and Fourier methods, and refined by least-squares techniques to R 0·089 for 4080 visually estimated independent reflections. Crystals are monoclinic, with unit-cell dimensions a= 20·68(4), b= 9·639(20), c= 26·59(4), β= 119·58(8), space group is P2₁/c and Z= 4.

The complex is monomeric and the metal atom has a highly distorted octahedral co-ordination. The three triphenylphosphine ligands are meridional and the hydride hydrogen atom is cis to all three. Ru–P bond distances for the two approximately trans PPh₃ groups (2·363, 2·351 Å) are appreciably longer than the third (2·230 Å); Ru–H is ca. 1·7 Å. The acetate group is bidentate and weakly held, with two rather long Ru–O distances (2·198 and 2·210 Å). It subtends an angle of 57·6° at the ruthenium atom.