Information card for entry 4132980

Structure parameters

• Formula: C9 H28 I7 N3 Pb2
• Calculated formula: C9 H28 I7 N3 Pb2
• Title of publication: Two-Dimensional Halide Perovskites Incorporating Straight Chain Symmetric Diammonium Ions, (NH₃C _mH_{2 m}NH₃)(CH₃NH₃) _n-1Pb _nI_{3 n+1} ( m = 4-9; n = 1-4).
• Authors of publication: Li, Xiaotong; Hoffman, Justin; Ke, Weijun; Chen, Michelle; Tsai, Hsinhan; Nie, Wanyi; Mohite, Aditya D.; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Wasielewski, Michael R.; Stoumpos, Constantinos C.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 38
• Pages of publication: 12226 - 12238
• a: 38.089 ± 0.005 Å
• b: 8.9053 ± 0.0018 Å
• c: 8.9109 ± 0.0013 Å
• α: 90°
• β: 90 ± 0.012°
• γ: 90°
• Cell volume: 3022.5 ± 0.9 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: 0.1536
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No