Information card for entry 1577021

Structure parameters

• Formula: C8 H11 Br Cl N
• Calculated formula: C8 H11 Br Cl N
• Title of publication: 2D Chiral Organic Salts with Large Piezoelectric Response
• Authors of publication: Lv, Hui-Peng; Liao, Zhi-Lin; Gao, Di; Jiang, Kai-Wen; Yu, Si-Qi; Lei, Yi; Liu, Jian-Chun; Geng, Yi-Zhuo; Ai, Yong; Li, Peng-Fei; Qin, Yan; Chen, Xiao-Gang
• Journal of publication: Materials Horizons
• Year of publication: 2026
• a: 5.4123 ± 0.0002 Å
• b: 6.8976 ± 0.0002 Å
• c: 13.0668 ± 0.0004 Å
• α: 90°
• β: 93.236 ± 0.003°
• γ: 90°
• Cell volume: 487.03 ± 0.03 ų
• Cell temperature: 80 ± 0.4 K
• Ambient diffraction temperature: 80 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0451
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No