Information card for entry 2217776

Structure parameters

• Chemical name: 1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.1^3,7^]decane tetrafluoroborate
• Formula: C7 H15 B F4 N3 P
• Calculated formula: C7 H15 B F4 N3 P
• Title of publication: 1-Methyl-1-azonia-3,5-diaza-7-phosphatricyclo[3.3.1.1^3,7^]decane tetrafluoroborate
• Authors of publication: Smoleński, Piotr; Kirillov, Alexander M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o556
• a: 11.994 ± 0.002 Å
• b: 11.6933 ± 0.0018 Å
• c: 15.569 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2183.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0728
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes