The crystal and molecular structure of bis(tetramethylammonium)pentachlorooxomolybdate(V)-acetonitrile(1:1) by S. A. Seyedsadjadi, S. Ghammamy, and G. Rezaeibehbahani

Crystal Research and Technology

Cryst. Res. Technol. 40, 727 (2005) - Abstract -

The crystal and molecular structure of bis(tetramethylammonium)pentachlorooxomolybdate(V)-acetonitrile(1:1)

S. A. Seyedsadjadi, S. Ghammamy*, and G. Rezaeibehbahani*

Faculty of Chemistry, Iran University of Science and Technology, Tehran, Iran
*Department of Chemistry, Faculty of Science, Imam Khomeini International University, Qazvin, Iran

Keywords	X-ray structure, bis(tetramethylammonium) pentachlorooxomolybdate (V), d1 complexes
PACS	61.66.Fn
DOI	10.1002/crat.200410417

The crystal structure of the title compound, C₁₀H₂₇C₁₅MoN₃O was determined by single crystal X-ray diffraction technique. The crystals are monoclinic, space group C 2/m, with a= 29.075(8) Å, b= 11.843(4) Å, c= 13.252(4) Å, β=117.049(7)°, V = 4064(2) Å³, Z=8. The structure was solved by direct methods and refined by least-squares methods to a final R = 0.0307 for 5095 observed reflections. In the pentachlorooxomolybdate anion, the planar chlorines are bent away from the axial oxygen ligand. The Mo-O bond length is 1.6620(18) Å that indicates significant double bond character. The oxygen trans Mo-Cl bond is significantly longer than all of the planar Mo-Cl bonds. These differences can be attributed to a trans influence of the oxygen atom.

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