Information card for entry 2208061

Structure parameters

• Chemical name: Trimethylammonium bromide
• Formula: C3 H10 Br N
• Calculated formula: C3 H10 Br N
• SMILES: C[NH+](C)C.[Br-]
• Title of publication: Trimethylammonium bromide at 100 K
• Authors of publication: Hartung, Jens; Kopf, Thomas; Svoboda, Ingrid; Fuess, Hartmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o570 - o572
• a: 5.349 ± 0.003 Å
• b: 8.023 ± 0.004 Å
• c: 6.79 ± 0.003 Å
• α: 90°
• β: 105.7 ± 0.04°
• γ: 90°
• Cell volume: 280.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0905
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes