Information card for entry 7124242

Structure parameters

• Formula: C16 H44 Bi2 I10 N4 O2
• Calculated formula: C16 H44 Bi2 I10 N4 O2
• Title of publication: Tunable Optical Absorption in Lead-Free Perovskite-Like Hybrids by Iodide Management
• Authors of publication: Kou, Bo; Zhang, WeiChuan; Ji, Chengmin; Wu, Zhenyue; Zhang, Shuhua; Liu, Xitao; Luo, Junhua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.7709 ± 0.0007 Å
• b: 22.3276 ± 0.0012 Å
• c: 24.5774 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8654.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No