Information card for entry 4105309

Structure parameters

• Common name: AsPW(CO)5 Cyclohexadiene Trap
• Formula: C17 H16 As O5 P W
• Calculated formula: C17 H16 As O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])(C#[O])[P]12[As]([C@H]3CC[C@@H]1C=C3)[C@@H]1CC[C@H]2C=C1
• 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: 13.8402 ± 0.0016 Å
• b: 9.094 ± 0.001 Å
• c: 15.3767 ± 0.0017 Å
• α: 90°
• β: 109.567 ± 0.002°
• γ: 90°
• Cell volume: 1823.6 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0351
• Weighted residual factors for all reflections included in the refinement: 0.0362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No