Information card for entry 7127579

Structure parameters

• Formula: C12 H42 Bi3 I15 N6
• Calculated formula: C12 H42 Bi3 I15 N6
• Title of publication: A lead-free bismuth iodide organic-inorganic ferroelectric semiconductor.
• Authors of publication: Liu, Yu-Hua; Peng, Hang; Liao, Wei-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 5
• Pages of publication: 647 - 650
• a: 11.18 ± 0.005 Å
• b: 8.575 ± 0.004 Å
• c: 27.548 ± 0.013 Å
• α: 90°
• β: 100.185 ± 0.01°
• γ: 90°
• Cell volume: 2599 ± 2 ų
• Cell temperature: 383 ± 2 K
• Ambient diffraction temperature: 383 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0901
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No