Information card for entry 4134198

Structure parameters

• Formula: C12 H40 I10 N4 Pb3
• Calculated formula: C12 H40 I10 N4 Pb3
• Title of publication: Cation Engineering in Two-Dimensional Ruddlesden-Popper Lead Iodide Perovskites with Mixed Large A-Site Cations in the Cages.
• Authors of publication: Fu, Yongping; Jiang, Xinyi; Li, Xiaotong; Traore, Boubacar; Spanopoulos, Ioannis; Katan, Claudine; Even, Jacky; Kanatzidis, Mercouri G.; Harel, Elad
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 8
• Pages of publication: 4008 - 4021
• a: 52.0158 ± 0.0016 Å
• b: 8.9727 ± 0.0003 Å
• c: 8.9745 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4188.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.01 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No