Information card for entry 4332064

Structure parameters

• Formula: C33 H48 Mo N2 O3
• Calculated formula: C33 H48 Mo N2 O3
• SMILES: [Mo](=O)(Oc1c(cccc1C(C)C)C(C)C)(Oc1c(cccc1C(C)C)C(C)C)(=NC(C)(C)C)[n]1ccccc1
• Title of publication: Molybdenum Oxo−Imido Aryloxide Complexes: Oxo Analogues of Olefin Metathesis Catalysts
• Authors of publication: Cross, Warren B.; Anderson, James C.; Wilson, Claire; Blake, Alexander J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4556 - 4561
• a: 12.4469 ± 0.0008 Å
• b: 12.7781 ± 0.0008 Å
• c: 20.8685 ± 0.0013 Å
• α: 90°
• β: 97.716 ± 0.001°
• γ: 90°
• Cell volume: 3289 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No