Information card for entry 1566721

Structure parameters

• Formula: C20 Ag Bi Br8 N8
• Calculated formula: C20 Ag Bi Br8 N8
• Title of publication: The construction of a two-dimensional organic-inorganic hybrid double perovskite ferroelastic with high Tc and narrow band gap
• Authors of publication: Su, Chang-Yuan; Yao, Yefeng; Zhang, Zhixu; Wang, Ying; Chen, Ming; Huang, Pei-Zhi; Zhang, Yi; Qiao, Wencheng; Fu, Da-Wei
• Journal of publication: Chemical Science
• Year of publication: 2022
• a: 8.774 ± 0.01 Å
• b: 27.47 ± 0.03 Å
• c: 8.771 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2114 ± 4 ų
• Cell temperature: 375 ± 2 K
• Ambient diffraction temperature: 375 ± 2 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.1205
• Residual factor for significantly intense reflections: 0.111
• Weighted residual factors for significantly intense reflections: 0.3167
• Weighted residual factors for all reflections included in the refinement: 0.3235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No