Information card for entry 4003839

Structure parameters

• Formula: C2.67 H2.89 N0.22 O0.22 S0.22
• Calculated formula: C2.66667 H2.88889 N0.222222 O0.222222 S0.222222
• Title of publication: Isometric Thionated Naphthalene Diimides As Organic Cathodes for High Capacity Lithium Batteries
• Authors of publication: Zhang, Bingjie; Zhang, Yueyan; Yang, Xiaodong; Li, Guoping; Zhang, Sikun; Zhang, Yanfeng; Yu, Demei; Liu, Zishun; He, Gang
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 10575 - 10583
• a: 10.519 ± 0.0012 Å
• b: 17.848 ± 0.002 Å
• c: 11.6429 ± 0.0013 Å
• α: 90°
• β: 94.87 ± 0.001°
• γ: 90°
• Cell volume: 2178 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0464
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1083
• 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: No
• Has Fobs: No