Information card for entry 1571424

Structure parameters

• Formula: C7 H9 Li N2 O3 S
• Calculated formula: C7 H9 Li N2 O3 S
• 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
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 7342 - 7358
• a: 6.7137 ± 0.0003 Å
• b: 7.9569 ± 0.0003 Å
• c: 11.1702 ± 0.0004 Å
• α: 98.12 ± 0.003°
• β: 97.915 ± 0.004°
• γ: 113.035 ± 0.004°
• Cell volume: 531.3 ± 0.04 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1348
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No