Information card for entry 4127725

Structure parameters

• Formula: C6 H10 I4 N2 Pb
• Calculated formula: C6 H10 I4 N2 Pb
• 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: 12.3348 ± 0.0012 Å
• b: 10.5038 ± 0.0007 Å
• c: 12.3423 ± 0.0012 Å
• α: 90°
• β: 90.002 ± 0.008°
• γ: 90°
• Cell volume: 1599.1 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for significantly intense reflections: 4.06
• Goodness-of-fit parameter for all reflections included in the refinement: 3.85
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No