Information card for entry 1545805

Structure parameters

• Chemical name: histammonium tetrabromoplumbate
• Formula: C5 H11 Br4 N3 Pb
• Calculated formula: C5 H11 Br4 N3 Pb
• Title of publication: Structural Origins of Broadband Emission from Layered Pb‒Br Hybrid Perovskites
• Authors of publication: Smith, Matthew D.; Jaffe, Adam; Dohner, Emma R.; Lindenberg, Aaron; Karunadasa, Hemamala I.
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 10.5412 ± 0.0013 Å
• b: 11.5023 ± 0.0014 Å
• c: 11.925 ± 0.0014 Å
• α: 90°
• β: 109.996 ± 0.003°
• γ: 90°
• Cell volume: 1358.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No