Information card for entry 7115768

Structure parameters

• Formula: C21 H39 F N O6 P Si2 W
• Calculated formula: C21 H39 F N O6 P Si2 W
• SMILES: C(P(=O)(F)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([Si](C)(C)C)[Si](C)(C)C.C1(CCCC(C)(C)[NH2+]1)(C)C
• 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: 9.1438 ± 0.0007 Å
• b: 12.6924 ± 0.001 Å
• c: 13.4939 ± 0.0011 Å
• α: 80.702 ± 0.003°
• β: 85.6 ± 0.003°
• γ: 71.974 ± 0.003°
• Cell volume: 1469 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No