Information card for entry 1570145

Structure parameters

• Formula: C112 H72 Cl4 N4 O2 S4
• Calculated formula: C98 H58 Cl4 N4 O2 S4
• 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: 8.7351 ± 0.0007 Å
• b: 19.5191 ± 0.0017 Å
• c: 26.799 ± 0.002 Å
• α: 90°
• β: 97.543 ± 0.008°
• γ: 90°
• Cell volume: 4529.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.3004
• Residual factor for significantly intense reflections: 0.162
• Weighted residual factors for significantly intense reflections: 0.3196
• Weighted residual factors for all reflections included in the refinement: 0.4253
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No