Information card for entry 7247524

Structure parameters

• Formula: C5 H8 F3 Li O5 S2
• Calculated formula: C5 H8 F3 Li O4.9993 S2
• 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: 8.5408 ± 0.0008 Å
• b: 23.905 ± 0.002 Å
• c: 10.7593 ± 0.0008 Å
• α: 90°
• β: 91.014 ± 0.007°
• γ: 90°
• Cell volume: 2196.4 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.1631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No