Information card for entry 4349946

Structure parameters

• Formula: C12 H28 Bi Br5 N2
• Calculated formula: C12 H28 Bi Br5 N2
• Title of publication: Successive near-room-temperature dielectric phase transitions in a lead-free hybrid perovskite-like compound
• Authors of publication: Zhang, Jing; Han, Shiguo; Liu, Xitao; Ji, Chengmin; Tao, Kewen; Asghar, Muhammad Adnan; Luo, Junhua; Sun, Zhihua
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 233
• a: 13.1935 ± 0.0002 Å
• b: 8.0066 ± 0.0001 Å
• c: 20.9454 ± 0.0003 Å
• α: 90°
• β: 91.293 ± 0.002°
• γ: 90°
• Cell volume: 2212.01 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No