Information card for entry 1518284

Structure parameters

• Common name: DS938
• Chemical name: (G3)-LiTFSI
• Formula: C10 H18 F6 Li N O8 S2
• Calculated formula: C10 H18 F6 Li N O8 S2
• SMILES: S1(O[Li]234([O](C)CC[O]2CC[O]3CC[O]4C)[O]=S(=O)(N=1)C(F)(F)F)(=O)C(F)(F)F
• Title of publication: Solvate structures and spectroscopic characterization of LiTFSI electrolytes.
• Authors of publication: Seo, Daniel M.; Boyle, Paul D.; Sommer, Roger D.; Daubert, James S.; Borodin, Oleg; Henderson, Wesley A.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 47
• Pages of publication: 13601 - 13608
• a: 28.7748 ± 0.0018 Å
• b: 8.5669 ± 0.0005 Å
• c: 17.3887 ± 0.0011 Å
• α: 90°
• β: 113.895 ± 0.004°
• γ: 90°
• Cell volume: 3919.1 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1386
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1821
• Weighted residual factors for all reflections included in the refinement: 0.2388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No