Information card for entry 4004018

Structure parameters

• Formula: C12 H22 Ag Bi I8 N4 O
• Calculated formula: C12 H22 Ag Bi I8 N4 O
• Title of publication: Bismuth/Silver-Based Two-Dimensional Iodide Double and One-Dimensional Bi Perovskites: Interplay between Structural and Electronic Dimensions
• Authors of publication: Li, Xiaotong; Traoré, Boubacar; Kepenekian, Mikaël; Li, Linda; Stoumpos, Constantinos C.; Guo, Peijun; Even, Jacky; Katan, Claudine; Kanatzidis, Mercouri G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2021
• a: 8.5577 ± 0.0002 Å
• b: 9.7387 ± 0.0002 Å
• c: 18.5585 ± 0.0004 Å
• α: 86.3032 ± 0.0012°
• β: 88.2019 ± 0.0011°
• γ: 88.8251 ± 0.001°
• Cell volume: 1542.44 ± 0.06 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No