Information card for entry 4003535

Structure parameters

• Formula: C H7 Cl3 N2 Pb
• Calculated formula: C H7 Cl3 N2 Pb
• Title of publication: Three-Dimensional Perovskite Methylhydrazinium Lead Chloride with Two Polar Phases and Unusual Second-Harmonic Generation Bistability above Room Temperature
• Authors of publication: Ma̧czka, Mirosław; Gagor, Anna; Zarȩba, Jan K.; Stefanska, Dagmara; Drozd, Marek; Balciunas, Sergejus; Šimėnas, Mantas; Banys, Juras; Sieradzki, Adam
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• a: 5.7416 ± 0.0004 Å
• b: 11.4227 ± 0.0002 Å
• c: 11.4054 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 748.02 ± 0.06 ų
• Cell temperature: 360.1 ± 0.1 K
• Ambient diffraction temperature: 360.1 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P b 21 m
• Hall space group symbol: P -2 -2b
• Residual factor for all reflections: 0.0329
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No