Information card for entry 4514571

Structure parameters

• Formula: I3.62 Pb1.12
• Calculated formula: I3.62 Pb1.12
• Title of publication: Enhanced Stability and Band Gap Tuning of α-[HC(NH₂)₂]PbI₃ Hybrid Perovskite by Large Cation Integration.
• Authors of publication: Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 20743 - 20751
• a: 14.471 ± 0.008 Å
• b: 14.471 ± 0.007 Å
• c: 6.448 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1350.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 83
• Hermann-Mauguin space group symbol: P 4/m
• Hall space group symbol: -P 4
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No