Information card for entry 7232632

Structure parameters

• Formula: C44 H68 F24 Mg2 N12 O26 S8
• Calculated formula: C44 H68 F24 Mg2 N12 O26 S8
• 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: 14.2221 ± 0.0004 Å
• b: 16.156 ± 0.0004 Å
• c: 20.0391 ± 0.0006 Å
• α: 96.153 ± 0.002°
• β: 109.15 ± 0.002°
• γ: 109.657 ± 0.002°
• Cell volume: 3971.8 ± 0.2 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: 0.0753
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No