Information card for entry 1545804

Structure parameters

• Chemical name: (2-methyl-1,5-pentanediammonium) tetrabromoplumbate
• Formula: C6 H18 Br4 N2 Pb
• Calculated formula: C6 H17 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: 24.4632 ± 0.0015 Å
• b: 8.0039 ± 0.0004 Å
• c: 8.1963 ± 0.0005 Å
• α: 90°
• β: 99.745 ± 0.002°
• γ: 90°
• Cell volume: 1581.69 ± 0.16 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0199
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No