Information card for entry 4134201

Structure parameters

• Formula: C10 H36 I10 N4 Pb3
• Calculated formula: C10 H36 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: 52.209 ± 0.006 Å
• b: 8.9061 ± 0.0006 Å
• c: 8.94 ± 0.0011 Å
• α: 90°
• β: 90.002 ± 0.009°
• γ: 90°
• Cell volume: 4156.9 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1597
• Residual factor for significantly intense reflections: 0.1086
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for significantly intense reflections: 5.38
• Goodness-of-fit parameter for all reflections included in the refinement: 4.78
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No