Preparation and properties of molybdenum- and tungsten-dinitrogen complexes 7 [1]. The molecular structure of MoCl(N2COPh) (Ph2PCH2CH2PPh2)2.

The structure of the complex MoCl(N2COPh)(Ph2PCH2CH2PPh2)2 has been determined from three-dimensional X-ray counter data collected on a single crystal. The material crystallizes in space group P21/n of the monoclinic system with four formula units of the complex in a cell of dimensions a = 21.17(1) A, b = 19.97(1) A, c = 12.56(2) A, β = 100.57(3)°, V = 5220.6(52) A3. The structure has been refined by blockdiagonal least-squares techniques to a final R index 0.0715 based on 7386 reflections above background. The complex has, an octahedral geometry with benzoyldiazenido and chloride ligands in a trans position and the benzoyldiazenido ligand is not chelating through the carbonyl oxygen. The bond orders of NN, NC, and CO are estimated to be 1.85, 1.3, and 1.85, respectively, which indicate the mesomeric spread of a high electron density from the metal to the benzoyldiazenido ligand. However, this spread does not extend so far to the phenyl group.