Information card for entry 1554051

Structure parameters

• Formula: C4 H8 B F4 Li O2 S
• Calculated formula: C4 H8 B F4 Li O2 S
• Title of publication: Direct Evidence for Li Ion Hopping Conduction in Highly Concentrated Sulfolane-Based Liquid Electrolytes.
• Authors of publication: Dokko, Kaoru; Watanabe, Daiki; Ugata, Yosuke; Thomas, Morgan L.; Tsuzuki, Seiji; Shinoda, Wataru; Hashimoto, Kei; Ueno, Kazuhide; Umebayashi, Yasuhiro; Watanabe, Masayoshi
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2018
• Journal volume: 122
• Journal issue: 47
• Pages of publication: 10736 - 10745
• a: 5.156 ± 0.0011 Å
• b: 8.8536 ± 0.0017 Å
• c: 18.337 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 837.1 ± 0.3 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No