Information card for entry 1518551

Structure parameters

• Common name: mandai1
• Formula: C14 H26 F6 Li N O10 S2
• Calculated formula: C14 H26 F6 Li N O10 S2
• 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: 9.2411 ± 0.0005 Å
• b: 9.6767 ± 0.0005 Å
• c: 13.9904 ± 0.0007 Å
• α: 95.234 ± 0.003°
• β: 97.155 ± 0.003°
• γ: 95.662 ± 0.003°
• Cell volume: 1228.46 ± 0.11 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 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 all reflections: 0.0686
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1675
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No