Information card for entry 7232634

Structure parameters

• Formula: C26 H50 F12 Mg N2 O17 S6
• Calculated formula: C26 H50 F12 Mg N2 O17 S6
• Title of publication: Modifications in Coordination Structure of Mg[TFSA]2-Based Supporting Salts for High-Voltage Magnesium Rechargeable Batteries
• Authors of publication: MANDAI, Toshihiko; Tatesaka, Kenji; Soh, Kenya; Masu, Hyuma; Choudhary, Ashu; Tateyama, Yoshitaka; Ise, Ryuta; Imai, Hiroaki; Takeguchi, Tatsuya; Kanamura, Kiyoshi
• Journal of publication: Physical Chemistry Chemical Physics
• Year of publication: 2019
• a: 16.5803 ± 0.0008 Å
• b: 16.0637 ± 0.0007 Å
• c: 18.4302 ± 0.0008 Å
• α: 90°
• β: 107.544 ± 0.005°
• γ: 90°
• Cell volume: 4680.4 ± 0.4 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.1972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No