Information card for entry 7232631

Structure parameters

• Formula: C16 H36 F12 Mg N2 O14 S10
• Calculated formula: C16 H36 F12 Mg N2 O14 S10
• 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: 8.3553 ± 0.0003 Å
• b: 11.644 ± 0.0004 Å
• c: 12.2554 ± 0.0004 Å
• α: 111.29 ± 0.003°
• β: 98.55 ± 0.003°
• γ: 100.341 ± 0.003°
• Cell volume: 1062.74 ± 0.07 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0493
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No