Information card for entry 4326531

Structure parameters

• Formula: C12 H30 F3 N O4 P2 S Si
• Calculated formula: C12 H30 F3 N O4 P2 S Si
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Si](OP(=N[P+](CC)(CC)CC)(C)C)(C)(C)C
• Title of publication: Reactions of Phosphine Oxides with Bromophosphoranimines; Synthesis and Unusual Rearrangements of O-Donor Stabilized Phosphoranimine Cations
• Authors of publication: Martin Bendle; Keith Huynh; Mairi F. Haddow; Ian Manners
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 10292 - 10302
• a: 13.8576 ± 0.0012 Å
• b: 13.446 ± 0.0013 Å
• c: 23.067 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4298.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No