Information card for entry 4132978

Structure parameters

• Formula: C10 H30 I7 N3 Pb2
• Calculated formula: C10 H30 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: 39.581 ± 0.006 Å
• b: 8.9068 ± 0.0018 Å
• c: 8.9084 ± 0.0013 Å
• α: 90°
• β: 90.047°
• γ: 90°
• Cell volume: 3140.6 ± 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: 0.1168
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for significantly intense reflections: 1.94
• Goodness-of-fit parameter for all reflections included in the refinement: 1.53
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No