Information card for entry 7247523

Structure parameters

• Formula: C16 H32 F6 Li O8 P S4
• Calculated formula: C16 H32 F6 Li O8 P S4
• Title of publication: High-concentration LiPF₆/sulfone electrolytes: structure, transport properties, and battery application.
• Authors of publication: Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 43
• Pages of publication: 29566 - 29575
• a: 16.7168 ± 0.0007 Å
• b: 8.3892 ± 0.0003 Å
• c: 19.5667 ± 0.0008 Å
• α: 90°
• β: 100.287 ± 0.004°
• γ: 90°
• Cell volume: 2699.94 ± 0.19 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 7
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No