Information card for entry 4126226

Structure parameters

• Formula: C4 H8 Br3 Cd N
• Calculated formula: C4 H8 Br3 Cd N
• Title of publication: Unprecedented Ferroelectric-Antiferroelectric-Paraelectric Phase Transitions Discovered in an Organic-Inorganic Hybrid Perovskite.
• Authors of publication: Li, Peng-Fei; Liao, Wei-Qiang; Tang, Yuan-Yuan; Ye, Heng-Yun; Zhang, Yi; Xiong, Ren-Gen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 7.705 ± 0.005 Å
• b: 17.658 ± 0.014 Å
• c: 6.947 ± 0.005 Å
• α: 90°
• β: 90.03 ± 0.03°
• γ: 90°
• Cell volume: 945.2 ± 1.2 ų
• Cell temperature: 238 ± 2 K
• Ambient diffraction temperature: 238 ± 2 K
• Number of distinct elements: 5
• Space group number: 12
• Hermann-Mauguin space group symbol: C 2/m 1 1
• Hall space group symbol: -C 2x
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No