Information card for entry 4105310

Structure parameters

• Common name: AsPW(CO)5 Butadiene trap
• Formula: C17 H20 As O5 P W
• Calculated formula: C17 H20 As O5 P W
• SMILES: [W]([P]12[As](CC(=C(C1)C)C)CC(=C(C2)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Triple-Bond Reactivity of an AsP Complex Intermediate: Synthesis Stemming from Molecular Arsenic, As4
• Authors of publication: Heather A. Spinney; Nicholas A. Piro; Christopher C. Cummins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16233 - 16243
• a: 15.411 ± 0.007 Å
• b: 7.065 ± 0.003 Å
• c: 18.782 ± 0.009 Å
• α: 90°
• β: 102.912 ± 0.008°
• γ: 90°
• Cell volume: 1993.3 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No