Information card for entry 1570146

Structure parameters

• Formula: C62.5 H28 Br Cl4 N8 O3 S5
• Calculated formula: C62.5 H28 Br Cl4 N8 O3 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: 24.082 ± 0.002 Å
• b: 57.855 ± 0.006 Å
• c: 13.8091 ± 0.0011 Å
• α: 90°
• β: 104.745 ± 0.004°
• γ: 90°
• Cell volume: 18606 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 103 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: 0.2127
• Residual factor for significantly intense reflections: 0.1834
• Weighted residual factors for significantly intense reflections: 0.4215
• Weighted residual factors for all reflections included in the refinement: 0.4439
• Goodness-of-fit parameter for all reflections included in the refinement: 0.888
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No