Information card for entry 7117408

Structure parameters

• Formula: C26 H41 N2 O5 P Si3 W
• Calculated formula: C26 H41 N2 O5 P Si3 W
• SMILES: [W](C#[O])([P](=[Si]1([Si](C)(C)C)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Facile rotation around a silicon-phosphorus double bond enabled through coordination to tungsten
• Authors of publication: Nora C. Breit; Tibor Szilvasi; Shigeyoshi Inoue
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 11272
• a: 20.7398 ± 0.0002 Å
• b: 9.2018 ± 0.0001 Å
• c: 17.6394 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3366.36 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No