Information card for entry 4335635

Structure parameters

• Common name: beta-Formamidinium_Lead_Iodide
• Formula: C H5 I3 N2 Pb
• Calculated formula: C I3 N2.0025 Pb
• Title of publication: Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
• Authors of publication: Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9019 - 9038
• a: 17.7914 ± 0.0008 Å
• b: 17.7914 ± 0.0008 Å
• c: 10.9016 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2988.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 143
• Hermann-Mauguin space group symbol: P 3
• Hall space group symbol: P 3
• Residual factor for all reflections: 0.178
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1584
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No