Information card for entry 4089526

Structure parameters

• Formula: C22 H32 O5 P2 W
• Calculated formula: C22 H32 O5 P2 W
• SMILES: [W](P([P+](C)(C(C)C)C(C)C)C1(C(=C(C(=C1C)C)C)C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Versatile Reactivity of Bridged Pentelidene Complexes toward Secondary and Tertiary Phosphines
• Authors of publication: Stubenhofer, Markus; Kuntz, Christian; Bodensteiner, Michael; Timoshkin, Alexey Y.; Scheer, Manfred
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3521
• a: 10.4303 ± 0.0002 Å
• b: 17.7418 ± 0.0002 Å
• c: 27.2397 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5040.77 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.908
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No