Information card for entry 4127640

Structure parameters

• Formula: C32 H106 I25 N11 Pb7
• Calculated formula: C31 H106 I25 N11 Pb7
• Title of publication: From 2D to 1D Electronic Dimensionality in Halide Perovskites with Stepped and Flat Layers Using Propylammonium as a Spacer.
• Authors of publication: Hoffman, Justin M.; Che, Xiaoyang; Sidhik, Siraj; Li, Xiaotong; Hadar, Ido; Blancon, Jean-Christophe; Yamaguchi, Hisato; Kepenekian, Mikaël; Katan, Claudine; Even, Jacky; Stoumpos, Constantinos C.; Mohite, Aditya D.; Kanatzidis, Mercouri G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 27
• Pages of publication: 10661 - 10676
• a: 19.201 ± 0.0017 Å
• b: 8.8414 ± 0.0005 Å
• c: 37.707 ± 0.003 Å
• α: 90°
• β: 119.351 ± 0.009°
• γ: 90°
• Cell volume: 5579.6 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.4073
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.2329
• Goodness-of-fit parameter for significantly intense reflections: 0.99
• Goodness-of-fit parameter for all reflections included in the refinement: 0.32
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No