Information card for entry 4003838

Structure parameters

• Formula: C5 H9 F3 K N O4 S
• Calculated formula: C5 H9 F3 K N O4 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: 7.344 ± 0.0005 Å
• b: 7.7957 ± 0.0005 Å
• c: 9.1286 ± 0.0006 Å
• α: 96.33 ± 0.002°
• β: 90.086 ± 0.002°
• γ: 95.585 ± 0.002°
• Cell volume: 516.94 ± 0.06 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0276
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No