Information card for entry 2004367

Structure parameters

• Chemical name: trans-Tetracarbonylbis(tri-t-butyl phosphite)molybdenum(0)
• Formula: C28 H54 Mo O10 P2
• Calculated formula: C28 H54 Mo O10 P2
• SMILES: O([P](OC(C)(C)C)([Mo]([P](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C)(C#[O])(C#[O])(C#[O])C#[O])OC(C)(C)C)C(C)(C)C
• Title of publication: <i>trans</i>-Tetracarbonylbis(tri-<i>tert</i>-butyl phosphite)molybdenum(0)
• Authors of publication: Alyea, E. C.; Ferguson, G.; Song, S.-Q.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 66 - 69
• a: 9.2634 ± 0.001 Å
• b: 13.9834 ± 0.0014 Å
• c: 14.2332 ± 0.0012 Å
• α: 90°
• β: 90.701 ± 0.011°
• γ: 90°
• Cell volume: 1843.5 ± 0.3 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 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: 0.0607
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for all reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.0992
• Goodness-of-fit parameter for all reflections: 1.034
• Goodness-of-fit parameter for significantly intense reflections: 1.141
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No