Information card for entry 4003835

Structure parameters

• Formula: C7.25 H11.5 Cl0.5 F3 K N O3 S
• Calculated formula: C7.25 H11.5 Cl0.5 F3 K N O3 S
• Title of publication: Designing Potassium Battery Salts through a Solvent-in-Anion Concept for Concentrated Electrolytes and Mimicking Solvation Structures
• Authors of publication: Schkeryantz, Luke A.; Zheng, Jingfeng; McCulloch, William D.; Qin, Lei; Zhang, Songwei; Moore, Curtis E.; Wu, Yiying
• Journal of publication: Chemistry of Materials
• Year of publication: 2020
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 10423 - 10434
• a: 18.2533 ± 0.0014 Å
• b: 32.815 ± 0.003 Å
• c: 32.965 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 19745 ± 3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No