Information card for entry 4002824

Structure parameters

• Common name: Bi2I7Cl2
• Formula: C12 H30 Bi2 Cl2 I7 N3 O0
• Calculated formula: C12 H30 Bi2 Cl2 I7 N3
• Title of publication: Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material
• Authors of publication: Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 5463
• a: 18.086 ± 0.006 Å
• b: 9.287 ± 0.003 Å
• c: 20.238 ± 0.007 Å
• α: 90°
• β: 112.631 ± 0.004°
• γ: 90°
• Cell volume: 3137.5 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No