Information card for entry 4003898

Structure parameters

• Formula: C2 H14 Br4 N4 Pb
• Calculated formula: C2 H10 Br4 N4 Pb
• Title of publication: [Methylhydrazinium]2PbBr4, a Ferroelectric Hybrid Organic‒Inorganic Perovskite with Multiple Nonlinear Optical Outputs
• Authors of publication: Mączka, Mirosław; Zaręba, Jan K.; Gągor, Anna; Stefańska, Dagmara; Ptak, Maciej; Roleder, Krystian; Kajewski, Dariusz; Soszyński, Andrzej; Fedoruk, Katarzyna; Sieradzki, Adam
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 18.0557 ± 0.0012 Å
• b: 6.0554 ± 0.0003 Å
• c: 6.0295 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 659.23 ± 0.06 ų
• Cell temperature: 360.2 ± 0.3 K
• Ambient diffraction temperature: 360.2 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 59
• Hermann-Mauguin space group symbol: P m n m :2
• Hall space group symbol: -P 2c 2a
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.179
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No