Information card for entry 2005033

Structure parameters

• Chemical name: Pentacarbonyl Tris-(2-methoxyphenyl)phosphine Chromium(0).
• Formula: C26 H21 Cr O8 P
• Calculated formula: C26 H21 Cr O8 P
• SMILES: [Cr]([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: 10.52 ± 0.001 Å
• b: 10.89 ± 0.001 Å
• c: 12.854 ± 0.001 Å
• α: 74.62 ± 0.01°
• β: 72.55 ± 0.01°
• γ: 64.7 ± 0.01°
• Cell volume: 1253.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.1042
• Weighted residual factors for significantly intense reflections: 0.1016
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No