Information card for entry 4001215

Structure parameters

• Formula: C26 H54 As2 F12 Li2 O13
• Calculated formula: C26 H54 As2 F12 Li2 O13
• SMILES: F[As](F)(F)(F)(F)[F-].F[As](F)(F)(F)(F)[F-].[Li]12345[O](C)CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC[O]1CC[O]2CC[O]3[Li]45612[O](C)CC[O]4CC[O]5CC[O]6CC3
• Title of publication: Structure and Conductivity of Small-Molecule Electrolytes [CH3O(CH2CH2O)nCH3]:LiAsF6(n= 8−12)
• Authors of publication: Zhang, Chuhong; Lilley, Scott J.; Ainsworth, David; Staunton, Edward; Andreev, Yuri G.; Slawin, Alexandra M. Z.; Bruce, Peter G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 12
• Pages of publication: 4039
• a: 12.3091 ± 0.0019 Å
• b: 12.9354 ± 0.0016 Å
• c: 13.5584 ± 0.0019 Å
• α: 87.196 ± 0.009°
• β: 73.571 ± 0.009°
• γ: 74.149 ± 0.008°
• Cell volume: 1991 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1237
• Residual factor for significantly intense reflections: 0.1069
• Weighted residual factors for significantly intense reflections: 0.2302
• Weighted residual factors for all reflections included in the refinement: 0.2409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No