Information card for entry 4130029

Structure parameters

• Formula: C45 H29 N4 O15 Zn
• Calculated formula: C45 H29 N4 O15 Zn
• Title of publication: Organized Aggregation Makes Insoluble Perylene Diimide Efficient for the Reduction of Aryl Halides via Consecutive Visible Light-Induced Electron-Transfer Processes.
• Authors of publication: Zeng, Le; Liu, Tao; He, Cheng; Shi, Dongying; Zhang, Feili; Duan, Chunying
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 12
• Pages of publication: 3958 - 3961
• a: 11.7654 ± 0.0004 Å
• b: 10.6457 ± 0.0004 Å
• c: 29.5927 ± 0.001 Å
• α: 90°
• β: 97.818 ± 0.002°
• γ: 90°
• Cell volume: 3672.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0691
• Weighted residual factors for significantly intense reflections: 0.1782
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No