Information card for entry 1570149

Structure parameters

• Formula: C60.83 H25.65 Br1.67 Cl4 N8 O2 S5
• Calculated formula: C59.8333 H23.6146 Br1.6666 Cl4 N8 O2 S5
• Title of publication: Exploring the significance of packing modes and 3D framework sizes and utilizing three chlorine-mediated acceptors and the “like dissolves like” approach for achieving an efficiency over 19%
• Authors of publication: Lai, Hanjian; Chen, Hui; Chen, Zi-Yi; Lang, Yongwen; Zhu, Yulin; Zhang, Shi-Tong; Lai, Xue; Tan, Pu; Zhang, Yuanzhu; Yang, Bing; Li, Gang; He, Feng
• Journal of publication: Energy & Environmental Science
• Year of publication: 2023
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 5944 - 5955
• a: 24.068 ± 0.005 Å
• b: 59.021 ± 0.012 Å
• c: 13.648 ± 0.003 Å
• α: 90°
• β: 101.855 ± 0.009°
• γ: 90°
• Cell volume: 18974 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2202
• Residual factor for significantly intense reflections: 0.1901
• Weighted residual factors for significantly intense reflections: 0.4027
• Weighted residual factors for all reflections included in the refinement: 0.4162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No