Information card for entry 1554050

Structure parameters

• Formula: C4 H8 F2 Li N O6 S3
• Calculated formula: C4 H8 F2 Li N O6 S3
• 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: 5.0746 ± 0.0004 Å
• b: 22.6735 ± 0.0013 Å
• c: 9.7382 ± 0.0006 Å
• α: 90°
• β: 91.266 ± 0.006°
• γ: 90°
• Cell volume: 1120.19 ± 0.13 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0935
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No