Synthesis of [M3H(CO)9(µ3-σ:η2:η2-C6H7)](M = Ru or Os). Molecular and crystal structure of the ruthenium cluster
Abstract
The dienyl cluster compounds [M3H(CO)9(µ3-σ:η2:η2-C6H7)](M = Ru or Os) have been synthesised from [Os3H2(CO)10] or [M3(CO)10(MeCN)2](M = Ru or Os) with cyclohexa-1,3-diene. The molecular and crystal structure of [Ru3H(CO)9(C6H7)] has been established by single-crystal X-ray diffraction analysis: monoclinic, space group P21, a= 8.487(6), b= 12.031(3), c= 9.073(2)Å, β= 92.43(4)° and Z= 2. The cyclohexadienyl ligand is involved in one σ and two π interactions with the metal triangle, while the H(hydride) ligand bridges the long Ru–Ru bond [3.052(1)Å]. The other two Ru–Ru bond lengths are the same [2.837(1)Å] and comparable to those observed in [Ru3(CO)9(µ3-η2:η2:η2-C6H6)]. The H(hyride) position afforded by the diffraction experiment has been compared with the result of potential-energy minimization procedures. The molecular organization within the lattice has been explored by means of atom–atom packing potential-energy calculations showing the presence of a network of C–H ⋯ O intermolecular hydrogen-bonding interactions.