Information card for entry 4335640

Structure parameters

• Common name: delta-Formamidinium_Lead_Iodide
• Formula: C H5 I3 N2 Pb
• Calculated formula: C I3 N2.01 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: 8.6603 ± 0.0014 Å
• b: 8.6603 ± 0.0014 Å
• c: 7.9022 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 513.27 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No