Information card for entry 4325467

Structure parameters

• Formula: C40 H61 Mo N3 O3
• Calculated formula: C40 H61 Mo N3 O3
• Title of publication: Synthesis of Molybdenum Nitrido Complexes for Triple-Bond Metathesis of Alkynes and Nitriles
• Authors of publication: Eric S. Wiedner; Kimberley J. Gallagher; Marc J. A. Johnson; Jeff W. Kampf
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 5936 - 5945
• a: 17.0283 ± 0.0009 Å
• b: 13.2624 ± 0.0007 Å
• c: 19.0848 ± 0.001 Å
• α: 90°
• β: 114.78 ± 0.001°
• γ: 90°
• Cell volume: 3913.2 ± 0.4 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No