Information card for entry 7216945

Structure parameters

• Formula: C12 H25 F6 P3
• Calculated formula: C12 H25 F6 P3
• SMILES: P12CCCC[PH+](CCCC1)(CCCC2).[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Superbasic bridgehead diphosphines: the effects of strain and intrabridgehead P · · · P bonding on phosphine basicity
• Authors of publication: Alder, Roger W.; Butts, Craig P.; Orpen, A. Guy; Read, David; Oliva, Josep M.
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2001
• Journal issue: 3
• Pages of publication: 282
• a: 7.8764 ± 0.0009 Å
• b: 13.8784 ± 0.0018 Å
• c: 15.138 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1654.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.0254
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No