Structural Studies of Triazenido Complexes. 1. Crystal and Molecular Structure of trans-Bis(triphenylphosphine)carbony(1,3-di-p-tolyltriazenido)hydridoruthenium(II), trans-[Ru(H)(CH₃C₆H₄N₃C₆H₄CH₃)(CO)(P(C₆H₅)₃)₂]

The structure of trans-bis(triphenylphosphine)carbonyl(1,3-di-p-tolyltriazenido)hydridoruthenium(II) has been determined from three-dimensional x-ray diffraction data collected by counter methods. The compound crystallizes in the triclinic space group [formula omitted] with two molecules in the unit cell of dimensions a = 14.074 (2) Å, b = 15.264 (3) Å,c = 12.195 (2) Å, α = 109.78 (1)°, β = 111.74 (1)°, γ = 65.03 (1)°, and V= 2154 ų; ρ_calcd = 1.35 and ρ_obsd = 1.34 gem^-3. A full-matrix least-squares refinement of the structure by standard procedures resulted in an R index of 0.038 for the 5847 independen data for which F_o ² > 3σ(F_o ²). The coordination about the ruthenium atom is approximately octahedral. The triazenido ligand is coordinated to the metal atom in a bidentate mode with a N(1)-Ru-N(3) angle of 57.7 (1)° and a N(1)-N(2)-N(3) angle of 105.2 (3)°. The Ru-N(3) bond length is 2.179 (3) Å compared with the Ru-N(1) distance of 2.149 (3) Å. The N-N bond lengths within the triazenido moiety are equal with N(1)-N(2) and N(2)-N(3) distances of 1.318 (4) and 1.310 (4) Å, respectively. The entire ruthenium-triazenido system is essentially planar, indicative of π delocalization over the whole system.