Information card for entry 4003470

Structure parameters

• Formula: C H7 Br3 N2 Pb
• Calculated formula: C H7 Br3 N2 Pb
• Title of publication: Methylhydrazinium Lead Bromide: Noncentrosymmetric Three-Dimensional Perovskite with Exceptionally Large Framework Distortion and Green Photoluminescence
• Authors of publication: Ma̧czka, Mirosl̷aw; Ptak, Maciej; Ga̧gor, Anna; Stefańska, Dagmara; Zarȩba, Jan K.; Sieradzki, Adam
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 5.9701 ± 0.0001 Å
• b: 11.8291 ± 0.0002 Å
• c: 11.8582 ± 0.0002 Å
• α: 90°
• β: 92.361 ± 0.002°
• γ: 90°
• Cell volume: 836.73 ± 0.02 ų
• Cell temperature: 293.52 ± 0.1 K
• Ambient diffraction temperature: 293.52 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No