Information card for entry 4075250

Structure parameters

• Formula: C30 H24 O14 P2 W2
• Calculated formula: C30 H24 O14 P2 W2
• SMILES: [W]([P@]12[C@@H]3C(=C([C@H]1C1=C(O[P@@]4([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[C@@H]([C@]31C(=O)OC)[C@H]([C@@H]2C=CC4)C=C)OC)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@@]12[C@H]3C(=C([C@@H]1C1=C(O[P@]4([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[C@H]([C@@]31C(=O)OC)[C@@H]([C@H]2C=CC4)C=C)OC)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: 17.067 ± 0.001 Å
• b: 13.471 ± 0.001 Å
• c: 16.321 ± 0.001 Å
• α: 90°
• β: 115.17 ± 0.001°
• γ: 90°
• Cell volume: 3396.1 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0439
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No