Information card for entry 2209984

Structure parameters

• Chemical name: (Bromomethyl)trimethylammonium tetrafluoroborate
• Formula: C4 H11 B Br F4 N
• Calculated formula: C4 H11 B Br F4 N
• SMILES: [B](F)(F)(F)[F-].C([N+](C)(C)C)Br
• Title of publication: (Bromomethyl)trimethylammonium tetrafluoroborate
• Authors of publication: Claville, Michelle O.; Payne, Roosevelt; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: o3452 - o3454
• a: 5.9478 ± 0.0015 Å
• b: 7.7276 ± 0.0012 Å
• c: 9.428 ± 0.002 Å
• α: 90°
• β: 104.274 ± 0.009°
• γ: 90°
• Cell volume: 419.95 ± 0.15 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes