Information card for entry 1545808

Structure parameters

• Chemical name: bis(4-ammoniobutanoic acid) tetrabromoplumbate
• Formula: C24 H60 Br12 N6 O12 Pb3
• Calculated formula: C24 H60 Br12 N6 O12 Pb3
• 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: 24.7721 ± 0.0012 Å
• b: 8.0709 ± 0.0004 Å
• c: 56.964 ± 0.003 Å
• α: 90°
• β: 97.137 ± 0.002°
• γ: 90°
• Cell volume: 11300.7 ± 1 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• 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: 0.1251
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No