Information card for entry 1518553

Structure parameters

• Formula: C10 H16 F6 Li N O8 S2
• Calculated formula: C10 H16 F6 Li N O8 S2
• SMILES: S(O[Li]123[O]4CC[O]1CC[O]2CC[O]3CC4)(=O)(=NS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Effect of ionic size on solvate stability of glyme-based solvate ionic liquids.
• Authors of publication: Mandai, Toshihiko; Yoshida, Kazuki; Tsuzuki, Seiji; Nozawa, Risa; Masu, Hyuma; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 4
• Pages of publication: 1523 - 1534
• a: 8.838 ± 0.003 Å
• b: 9.535 ± 0.003 Å
• c: 11.379 ± 0.004 Å
• α: 81.162 ± 0.009°
• β: 78.012 ± 0.009°
• γ: 79.457 ± 0.009°
• Cell volume: 915.5 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No