Information card for entry 7247488

Structure parameters

• Formula: C12 H20 F6 N Na O9 S2
• Calculated formula: C12 H20 F6 N Na O9 S2
• Title of publication: Solid state ¹H, ⁷Li, and ¹³C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes.
• Authors of publication: Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 40
• Pages of publication: 27836 - 27847
• a: 29.292 ± 0.013 Å
• b: 9.039 ± 0.004 Å
• c: 18.545 ± 0.009 Å
• α: 90°
• β: 113.231 ± 0.014°
• γ: 90°
• Cell volume: 4512 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1833
• Residual factor for significantly intense reflections: 0.1478
• Weighted residual factors for significantly intense reflections: 0.4292
• Weighted residual factors for all reflections included in the refinement: 0.4546
• Goodness-of-fit parameter for all reflections included in the refinement: 3.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No