Information card for entry 1571423

Structure parameters

• Formula: C24 H44 F12 Li4 N4 O14 S5
• Calculated formula: C24 H44 F12 Li4 N4 O14 S5
• Title of publication: Evolving Better Solvate Electrolytes for Lithium Secondary Batteries
• Authors of publication: Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 10.398 ± 0.0002 Å
• b: 19.9938 ± 0.0003 Å
• c: 22.173 ± 0.0004 Å
• α: 90°
• β: 95.895 ± 0.002°
• γ: 90°
• Cell volume: 4585.29 ± 0.14 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No