Information card for entry 2219970

Structure parameters

• Chemical name: Triethylammonium bromide
• Formula: C6 H16 Br N
• Calculated formula: C6 H16 Br N
• SMILES: CC[NH+](CC)CC.[Br-]
• Title of publication: A redetermination at low temperature of the structure of triethylammonium bromide
• Authors of publication: Munro, Natasha H.; Hanton, Lyall R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2236
• a: 8.3589 ± 0.0002 Å
• b: 8.3589 Å
• c: 7.3125 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 442.481 ± 0.016 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• Space group number: 159
• Hermann-Mauguin space group symbol: P 3 1 c
• Hall space group symbol: P 3 -2c
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.241
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes