Information card for entry 7062387

Structure parameters

• Formula: C42 H26 Cl2 N2 O4
• Calculated formula: C42 H26 Cl2 N2 O4
• Title of publication: Napthalene diimide derivative based organic cocrystal frameworks as cathode electrodes for stable lithium batteries
• Authors of publication: Zheng, Zihang; Ju, Zhengkun; Ma, Shuang; Liu, Zhiqi; Xiang, Wenxin; Chen, Jinqiu; Yang, Bo; Mu, Zifeng; Zhang, Jing; Li, Pan; Sheng, Peng
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 16
• Pages of publication: 7476 - 7480
• a: 7.2003 ± 0.0009 Å
• b: 10.1086 ± 0.0013 Å
• c: 11.0066 ± 0.0014 Å
• α: 94.52 ± 0.009°
• β: 94.515 ± 0.008°
• γ: 103.41 ± 0.008°
• Cell volume: 772.95 ± 0.17 ų
• Cell temperature: 197 K
• Ambient diffraction temperature: 197 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: 0.0718
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1674
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No