Information card for entry 8000395

Structure parameters

• Formula: C4 H12 Br4 Cd F4 N2
• Calculated formula: C4 H12 Br4 Cd F4 N2
• Title of publication: Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F₂CHCH₂NH₃)₂CdBr₄ Perovskite through Pb Alloying.
• Authors of publication: Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 199 - 205
• a: 7.8696 ± 0.0003 Å
• b: 7.664 ± 0.0002 Å
• c: 22.6439 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1365.71 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1067
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No