Information card for entry 4127723

Structure parameters

• Formula: C8 H22 I10 N4 Pb3
• Calculated formula: C8 H22 I10 N4 Pb3
• Title of publication: Two-Dimensional Dion-Jacobson Hybrid Lead Iodide Perovskites with Aromatic Diammonium Cations.
• Authors of publication: Li, Xiaotong; Ke, Weijun; Traoré, Boubacar; Guo, Peijun; Hadar, Ido; Kepenekian, Mikaël; Even, Jacky; Katan, Claudine; Stoumpos, Constantinos C.; Schaller, Richard D.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 32
• Pages of publication: 12880 - 12890
• a: 45.091 ± 0.005 Å
• b: 9.0494 ± 0.0015 Å
• c: 8.8654 ± 0.001 Å
• α: 90°
• β: 95.92 ± 0.009°
• γ: 90°
• Cell volume: 3598.2 ± 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: 0.1867
• Residual factor for significantly intense reflections: 0.1285
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1674
• Goodness-of-fit parameter for significantly intense reflections: 7.96
• Goodness-of-fit parameter for all reflections included in the refinement: 5.92
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No