Information card for entry 2005034

Structure parameters

• Chemical name: Pentacarbonyl tris(2-methoxyphenyl)phosphine Molybdenum(0).
• Formula: C26 H21 Mo O8 P
• Calculated formula: C26 H21 Mo O8 P
• SMILES: [Mo]([P](c1ccccc1OC)(c1ccccc1OC)c1ccccc1OC)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Pentacarbonyl[tris(2-methoxyphenyl)phosphine-<i>P</i>]chromium and its Molybdenum Analogue
• Authors of publication: bin Shawkataly, O.; Saminathan, T.; Muniswaran, K.; Fun, H.-K.; Sivakumar, K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1352 - 1355
• a: 10.889 ± 0.002 Å
• b: 16.395 ± 0.002 Å
• c: 14.808 ± 0.002 Å
• α: 90°
• β: 92.57 ± 0.01°
• γ: 90°
• Cell volume: 2640.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0849
• Weighted residual factors for significantly intense reflections: 0.0781
• Goodness-of-fit parameter for all reflections: 0.899
• Goodness-of-fit parameter for significantly intense reflections: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No