Information card for entry 1566737

Structure parameters

• Formula: C108.96 H78.42 Cl1.5 N5 O12
• Calculated formula: C108.96 H78.42 Cl1.5 N5 O12
• Title of publication: Photoinduced Cascading Charge Transfer in Perylene Bisimide-Based Triads.
• Authors of publication: Loong, Hao; Zhou, Jiadong; Jiang, Nianqiang; Feng, Yi; Xie, Guojing; Liu, Linlin; Xie, Zengqi
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2022
• Journal volume: 126
• Journal issue: 12
• Pages of publication: 2441 - 2448
• a: 10.4997 ± 0.0003 Å
• b: 15.5071 ± 0.0005 Å
• c: 35.5889 ± 0.0005 Å
• α: 83.392 ± 0.002°
• β: 82.236 ± 0.002°
• γ: 71.57 ± 0.003°
• Cell volume: 5430.8 ± 0.3 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1754
• Residual factor for significantly intense reflections: 0.1474
• Weighted residual factors for significantly intense reflections: 0.3999
• Weighted residual factors for all reflections included in the refinement: 0.4403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No