Information card for entry 4134270

Structure parameters

• Formula: C4 H9 Br3 F Mn N
• Calculated formula: C4 H9 Br3 F Mn N
• Title of publication: Enantiomorphic Perovskite Ferroelectrics with Circularly Polarized Luminescence.
• Authors of publication: Gao, Ji-Xing; Zhang, Wan-Ying; Wu, Zheng-Guang; Zheng, You-Xuan; Fu, Da-Wei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 7.8558 ± 0.0004 Å
• b: 6.7422 ± 0.0003 Å
• c: 9.7844 ± 0.0005 Å
• α: 90°
• β: 113.669 ± 0.003°
• γ: 90°
• Cell volume: 474.64 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.1968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No