Information card for entry 4075251

Structure parameters

• Formula: C21 H25 O5 P W
• Calculated formula: C21 H25 O5 P W
• SMILES: [W]([P@@]12CC(=C(C[C@@H]1[C@H](CC(=C(C2)C)C)C=C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]12CC(=C(C[C@H]1[C@@H](CC(=C(C2)C)C)C=C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Electronic Structure and Evolution of a Terminal Butadienylphosphinidene Complex
• Authors of publication: Tran Huy, Ngoc Hoa; Hao, Shaojie; Ricard, Louis; Mathey, François
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 13
• Pages of publication: 3152
• a: 8.32 ± 0.001 Å
• b: 10.293 ± 0.001 Å
• c: 14.189 ± 0.001 Å
• α: 91.399 ± 0.001°
• β: 95.902 ± 0.001°
• γ: 112.739 ± 0.001°
• Cell volume: 1112 ± 0.19 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0261
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0618
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No