Information card for entry 1545802

Structure parameters

• Chemical name: 1,4-butanediammonium tetrabromoplumbate
• Formula: C4 H14 Br4 N2 Pb
• Calculated formula: C4 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: 8.0135 ± 0.0004 Å
• b: 8.427 ± 0.0004 Å
• c: 10.7367 ± 0.0005 Å
• α: 78.957 ± 0.002°
• β: 69.565 ± 0.002°
• γ: 89.542 ± 0.001°
• Cell volume: 665.47 ± 0.06 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No