Information card for entry 3500080

Structure parameters

• Common name: tetrapropylammonium bromide
• Formula: C12 H28 Br N
• Calculated formula: C12 H28 Br N
• Title of publication: Tetrapropylammonium Bromide
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2019
• a: 8.2048 ± 0.0002 Å
• b: 8.2048 ± 0.0002 Å
• c: 10.7389 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 722.93 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0199
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes