Information card for entry 3500086

Structure parameters

• Common name: tetramethylammonium bromide
• Formula: C4 H12 Br N
• Calculated formula: C4 H12 Br N
• Title of publication: Tetramethylammonium bromide
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2019
• a: 7.659 ± 0.0003 Å
• b: 7.659 ± 0.0003 Å
• c: 5.4566 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 320.09 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 129
• Hermann-Mauguin space group symbol: P 4/n m m :2
• Hall space group symbol: -P 4a 2a
• Residual factor for all reflections: 0.0204
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes