Information card for entry 4104513

Structure parameters

• Formula: C11 H10 Cl O5 P W
• Calculated formula: C11 H10 Cl O5 P W
• SMILES: [W](C#[O])(C#[O])(C#[O])(C#[O])([P]1(Cl)[C@@H]2[C@H]1CCCC2)C#[O]
• Title of publication: Generation and Trapping of a Terminal Chlorophosphinidene Complex
• Authors of publication: Matthew P. Duffy; François Mathey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 7534 - 7535
• a: 6.4957 ± 0.0002 Å
• b: 15.7482 ± 0.0005 Å
• c: 14.0945 ± 0.0004 Å
• α: 90°
• β: 98.028 ± 0.001°
• γ: 90°
• Cell volume: 1427.68 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0224
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0565
• Weighted residual factors for all reflections included in the refinement: 0.0803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No