Information card for entry 1518282

Structure parameters

• Chemical name: (2-6-DMPy)1-2-LiTFSI
• Formula: C22 H18 F24 Li4 N6 O16 S8
• Calculated formula: C22 H18 F24 Li4 N6 O16 S8
• 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: 24.7926 ± 0.0009 Å
• b: 9.6843 ± 0.0003 Å
• c: 22.7656 ± 0.0008 Å
• α: 90°
• β: 116.891 ± 0.0017°
• γ: 90°
• Cell volume: 4874.9 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0948
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.1575
• Weighted residual factors for all reflections included in the refinement: 0.1703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No