Information card for entry 2222023

Structure parameters

• Chemical name: 4-(Dimethylamino)pyridinium tribromide
• Formula: C7 H11 Br3 N2
• Calculated formula: C7 H11 Br3 N2
• Title of publication: 4-(Dimethylamino)pyridinium tribromide: whole molecule disorder of cation and anion
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1276
• a: 4.1688 ± 0.0001 Å
• b: 8.8349 ± 0.0002 Å
• c: 14.7255 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 542.35 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 17
• Hermann-Mauguin space group symbol: P 2 2 21
• Hall space group symbol: P 2c 2
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes