Information card for entry 4127641

Structure parameters

• Formula: C42 H100 I32 N14 O Pb9
• Calculated formula: C33.64 H132 I32 N9.98 O3.03 Pb9
• 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: 45.276 ± 0.002 Å
• b: 8.8555 ± 0.0003 Å
• c: 19.1635 ± 0.001 Å
• α: 90°
• β: 113.372 ± 0.004°
• γ: 90°
• Cell volume: 7053 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.176
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.1591
• Weighted residual factors for all reflections included in the refinement: 0.1736
• Goodness-of-fit parameter for significantly intense reflections: 3.38
• Goodness-of-fit parameter for all reflections included in the refinement: 2.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No