Information card for entry 1545807

Structure parameters

• Chemical name: 3-(2-ammonioethyl)-anilinium tetrabromoplumbate
• Formula: C8 H14 Br4 N2 Pb
• Calculated formula: C8 H14 Br4 N2 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: 7.7688 ± 0.0003 Å
• b: 8.5108 ± 0.0004 Å
• c: 24.6314 ± 0.0011 Å
• α: 90°
• β: 95.197 ± 0.002°
• γ: 90°
• Cell volume: 1621.9 ± 0.12 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.078
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2031
• Weighted residual factors for all reflections included in the refinement: 0.2092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.7749 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No