Information card for entry 4078233

Structure parameters

• Formula: C21 H38 Li O12 P Si W
• Calculated formula: C21 H38 Li O12 P Si W
• SMILES: C([P](O)(O[Li]123[O]4CC[O]1CC[O]2CC[O]3CC4)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])[Si](C)(C)C.CCOCC
• Title of publication: SET Oxidation of Li/X Phosphinidenoid Complexes by TEMPO
• Authors of publication: Nesterov, Vitaly; Schwieger, Sebastian; Schnakenburg, Gregor; Grimme, Stefan; Streubel, Rainer
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 9
• Pages of publication: 3457
• a: 12.7563 ± 0.0006 Å
• b: 20.7282 ± 0.0007 Å
• c: 12.9136 ± 0.0006 Å
• α: 90°
• β: 119.045 ± 0.003°
• γ: 90°
• Cell volume: 2985.1 ± 0.2 ų
• Cell temperature: 123 ± 2 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: 0.0395
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No