Information card for entry 1554138

Structure parameters

• Chemical name: C6H8LiNO6F6S3
• Formula: C6 H8 F6 Li N O6 S3
• Calculated formula: C6 H8 F6 Li N O6 S3
• Title of publication: Sulfolane-Based Highly Concentrated Electrolytes of Lithium Bis(trifluoromethanesulfonyl)amide: Ionic Transport, Li-Ion Coordination, and Li‒S Battery Performance
• Authors of publication: Nakanishi, Azusa; Ueno, Kazuhide; Watanabe, Daiki; Ugata, Yosuke; Matsumae, Yoshiharu; Liu, Jiali; Thomas, Morgan L.; Dokko, Kaoru; Watanabe, Masayoshi
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2019
• Journal volume: 123
• Journal issue: 23
• Pages of publication: 14229
• a: 8.6999 ± 0.0005 Å
• b: 12.2951 ± 0.0006 Å
• c: 14.5055 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1551.6 ± 0.15 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: 0.0552
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No