Information card for entry 7115767

Structure parameters

• Formula: C21 H39 N O6 P Si2 W
• Calculated formula: C21 H39 N O6 P Si2 W
• SMILES: [W]([PH](O[NH+]1C(CCCC1(C)C)(C)C)C([Si](C)(C)C)[Si](C)(C)C)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Selective phosphanyl complex trapping using TEMPO. Synthesis and reactivity of P-functional P-nitroxyl phosphane complexes
• Authors of publication: Vitaly Nesterov; Zheng-Wang Qu; Gregor Schnakenburg; Stefan Grimme; Rainer Streubel
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12508
• a: 14.7971 ± 0.0004 Å
• b: 15.3781 ± 0.0004 Å
• c: 12.4122 ± 0.0003 Å
• α: 90°
• β: 95.438 ± 0.002°
• γ: 90°
• Cell volume: 2811.7 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• 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: 0.0452
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No