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.

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