Information card for entry 7237286

Structure parameters

• Common name: bromocholine bromide
• Chemical name: (2-Bromoethyl)trimethylammonium bromide
• Formula: C5 H13 Br2 N
• Calculated formula: C5 H13 Br2 N
• Title of publication: Bromocholine bromide is a molecular ferroelectric with moderate phase transition temperature
• Authors of publication: Wang, Sha-Sha; Chen, Xiao-Xian; Huang, Bo; Su, Yu-Jun; Zhang, Wei-Xiong; Zeng, Ming-Hua; Chen, Xiao-Ming
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 9
• Pages of publication: 2221
• a: 7.3865 ± 0.0006 Å
• b: 8.616 ± 0.0006 Å
• c: 7.512 ± 0.0006 Å
• α: 90°
• β: 109.395 ± 0.009°
• γ: 90°
• Cell volume: 450.95 ± 0.07 ų
• Cell temperature: 353 ± 2 K
• Ambient diffraction temperature: 353 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No