Information card for entry 2006032

Structure parameters

• Common name: Tetraethylammonium Bromide
• Chemical name: EthanaminiumN,N,N-triethyl Bromide
• Formula: C8 H20 Br N
• Calculated formula: C8 H20 Br N
• SMILES: [N+](CC)(CC)(CC)CC.[Br-]
• Title of publication: Low-Temperature Phase of Tetraethylammonium Bromide
• Authors of publication: Ralle, M.; Bryan, J. C.; Habenschuss, A.; Wunderlich, B.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 4
• Pages of publication: 488 - 490
• a: 12.0128 ± 0.001 Å
• b: 12.0128 ± 0.001 Å
• c: 35.16 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4394.1 ± 0.6 ų
• Cell temperature: 163 ± 2 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.061
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No