Information card for entry 8000282

Structure parameters

• Formula: C6 H13 Br N O3
• Calculated formula: C6 H13 Br N O3
• Title of publication: High-Temperature Molecular Ferroelectric Tris(2-hydroxyethyl) Ammonium Bromide with Dielectric Relaxation.
• Authors of publication: Tang, Zheng; Gao, Kai-Ge; Sun, Xiao-Fan; Yang, Xing-Ming; Wu, Yi-Zhang; Gao, Zhang-Ran; Cai, Hong-Ling; Wu, X. S.
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2019
• Pages of publication: 6650 - 6655
• a: 8.4155 ± 0.0006 Å
• b: 8.4155 ± 0.0006 Å
• c: 11.6376 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 713.76 ± 0.09 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 160
• Hermann-Mauguin space group symbol: R 3 m :H
• Hall space group symbol: R 3 -2"
• Residual factor for all reflections: 0.0188
• Residual factor for significantly intense reflections: 0.0188
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0436
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No