Information card for entry 7237514

Structure parameters

• Formula: C6 H20 Bi0.5 I4.5 N2
• Calculated formula: C6 H20 Bi0.5 I4.5 N2
• Title of publication: Rational design of a triiodide-intercalated dielectric-switching hybrid for visible-light absorption
• Authors of publication: Zhang, Weichuan; Kou, Bo; Peng, Yu; Wu, Zhenyue; Yao, Yunpeng; Dey, Dhananjay; Li, Lina; Luo, Junhua
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 45
• Pages of publication: 12170
• a: 12.5733 ± 0.0004 Å
• b: 12.1377 ± 0.0003 Å
• c: 11.9395 ± 0.0003 Å
• α: 90°
• β: 102.72 ± 0.003°
• γ: 90°
• Cell volume: 1777.38 ± 0.09 ų
• Cell temperature: 100 ± 0.4 K
• Ambient diffraction temperature: 100 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0365
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections included in the refinement: 0.0443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No