Information card for entry 4312026

Structure parameters

• Formula: C26 H26 B4 F12 Li2 N4 O12
• Calculated formula: C26 H26 B4 F12 Li2 N4 O12
• SMILES: [B](F)(F)([F][Li]1([O]=C2OCCO2)[O]=C2OCCO2)[n]2cn(c3c2cccc3)[B](F)(F)[F][Li]([O]=C2OCCO2)([O]=C2OCCO2)[F][B](F)(F)[n]2cn(c3c2cccc3)[B](F)(F)[F]1
• Title of publication: New Family of Lithium Salts for Highly Conductive Nonaqueous Electrolytes
• Authors of publication: Thomas J. Barbarich; Peter F. Driscoll; Suzette Izquierdo; Lev N. Zakharov; Christopher D. Incarvito; Arnold L. Rheingold
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7764 - 7773
• a: 8.24 ± 0.03 Å
• b: 9.4 ± 0.04 Å
• c: 12.17 ± 0.05 Å
• α: 96.28 ± 0.09°
• β: 91.71 ± 0.09°
• γ: 109.51 ± 0.08°
• Cell volume: 881 ± 6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0974
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1687
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No