Information card for entry 4001213

Structure parameters

• Formula: C40 H84 As3 F18 Li3 O20
• Calculated formula: C40 H84 As3 F18 Li3 O20
• SMILES: [As](F)(F)(F)(F)([F-])F.[As](F)(F)(F)(F)([F-])F.[As](F)(F)(F)([F-])(F)F.C[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC[O](CCOCC[O]6CC[O]7CC[O](C)[Li]8967[O](CCOC)CC[O]9CC[O]8CC[O]6CC[O]7CC[O]8CC[O]9CC[O]%10CC[O](C)[Li]6789%10)[Li]12345
• 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: 9.2197 ± 0.0014 Å
• b: 9.3713 ± 0.0014 Å
• c: 35.083 ± 0.006 Å
• α: 82.412 ± 0.011°
• β: 84.302 ± 0.012°
• γ: 87.731 ± 0.01°
• Cell volume: 2988.7 ± 0.8 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: 0.1823
• Residual factor for significantly intense reflections: 0.1298
• Weighted residual factors for significantly intense reflections: 0.2635
• Weighted residual factors for all reflections included in the refinement: 0.2924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No