Information card for entry 1513736

Structure parameters

• Formula: C11 H12 F6 Li N O13 S2
• Calculated formula: C11 H12 F6 Li N O13 S2
• Title of publication: Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms
• Authors of publication: McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.
• Journal of publication: Energy & Environmental Science
• Year of publication: 2014
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 416
• a: 8.729 ± 0.003 Å
• b: 14.045 ± 0.005 Å
• c: 16.041 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1966.6 ± 1.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No