Information card for entry 4127726

Structure parameters

• Formula: C7 H16 I7 N3 Pb2
• Calculated formula: C7 H16 I7 N3 Pb2
• 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: 34.678 ± 0.004 Å
• b: 8.7791 ± 0.001 Å
• c: 8.7644 ± 0.0009 Å
• α: 90°
• β: 104.536 ± 0.008°
• γ: 90°
• Cell volume: 2582.8 ± 0.5 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: 0.0591
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for significantly intense reflections: 1.96
• Goodness-of-fit parameter for all reflections included in the refinement: 1.75
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No