Information card for entry 4088262

Structure parameters

• Formula: C15 H22 F3 O6 P Si2 W
• Calculated formula: C15 H22 F3 O6 P Si2 W
• SMILES: [C@H]1(C[P@](C([Si](C)(C)C)[Si](C)(C)C)(O1)[W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C(F)(F)F
• Title of publication: C-Trifluoromethyl-Substituted 1,2-Oxaphosphetane Complexes: Synthetic and Structural Study
• Authors of publication: Kyri, Andreas W.; Schnakenburg, Gregor; Streubel, Rainer
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 4
• Pages of publication: 563
• a: 9.3854 ± 0.0003 Å
• b: 11.0383 ± 0.0002 Å
• c: 22.054 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2284.77 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No