Information card for entry 7232633

Structure parameters

• Formula: C34 H48 F12 Mg N14 O8 S4
• Calculated formula: C34 H48 F12 Mg N14 O8 S4
• 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: 11.0919 ± 0.0005 Å
• b: 11.1816 ± 0.0006 Å
• c: 20.2849 ± 0.0011 Å
• α: 90°
• β: 98.442 ± 0.005°
• γ: 90°
• Cell volume: 2488.6 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No