Information card for entry 4004022

Structure parameters

• Formula: C6 H16 Bi I5 N2
• Calculated formula: C6 H16 Bi I5 N2
• 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: 12.74 ± 0.003 Å
• b: 8.9285 ± 0.0018 Å
• c: 16.404 ± 0.003 Å
• α: 90°
• β: 90.09 ± 0.03°
• γ: 90°
• Cell volume: 1865.9 ± 0.7 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for significantly intense reflections: 3.04
• Goodness-of-fit parameter for all reflections included in the refinement: 2.48
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No