Information card for entry 1545806

Structure parameters

• Chemical name: octanediammonium tetrabromoplumbate
• Formula: C8 H22 Br4 N2 Pb
• Calculated formula: C8 H22 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: 13.807 ± 0.003 Å
• b: 7.9891 ± 0.0014 Å
• c: 8.2769 ± 0.0014 Å
• α: 90°
• β: 104.34 ± 0.006°
• γ: 90°
• Cell volume: 884.5 ± 0.3 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: 0.0373
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No