Information card for entry 4003837

Structure parameters

• Formula: C7 H13 F3 K N O4 S
• Calculated formula: C7 H13 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: 6.4411 ± 0.0006 Å
• b: 8.8961 ± 0.001 Å
• c: 11.4897 ± 0.0012 Å
• α: 87.753 ± 0.004°
• β: 73.755 ± 0.003°
• γ: 81.989 ± 0.003°
• Cell volume: 625.91 ± 0.11 ų
• Cell temperature: 100 ± 2 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: 0.0281
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No