Information card for entry 2227483

Structure parameters

• Chemical name: 4-(dimethylamino)pyridinium tribromide
• Formula: C7 H11 Br3 N2
• Calculated formula: C7 H11 Br3 N2
• SMILES: Br[Br-]Br.[nH+]1ccc(N(C)C)cc1
• Title of publication: Redetermination of 4-(dimethylamino)pyridinium tribromide
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2223
• a: 14.7253 ± 0.0002 Å
• b: 17.6696 ± 0.0003 Å
• c: 4.1689 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1084.71 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes