Information card for entry 4002821

Structure parameters

• Common name: BiI5
• Formula: C16 H40 Bi2 I10 N4 O0
• Calculated formula: C16 H40 Bi2 I10 N4
• SMILES: [Bi](I)(I)([I][Bi](I)(I)(I)(I)I)(I)I.[N+]1(CC[N+](C)(CC1)C)(C)C.[N+]1(CC[N+](C)(CC1)C)(C)C
• 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: 9.4725 ± 0.0005 Å
• b: 9.9447 ± 0.0005 Å
• c: 21.4361 ± 0.0011 Å
• α: 91.872 ± 0.001°
• β: 92.148 ± 0.001°
• γ: 95.903 ± 0.001°
• Cell volume: 2005.83 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0207
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No