Information card for entry 4114239

Structure parameters

• Common name: 02027y
• Formula: C68 H82 B2 Li2 O10
• Calculated formula: C68 H82 B2 Li2 O10
• SMILES: [Li]12345[O](C)CC[O]1CC[O]12[Li]267[O](CC[O]5CC[O]4CC[O]3CC1)CC[O]2CC[O]6CC[O]7C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Single-Crystal Structures of Polymer Electrolytes
• Authors of publication: Wesley A. Henderson; Neil R. Brooks; Victor G. Young
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12098 - 12099
• a: 12.5349 ± 0.0015 Å
• b: 36.295 ± 0.004 Å
• c: 13.0899 ± 0.0015 Å
• α: 90°
• β: 91.276 ± 0.003°
• γ: 90°
• Cell volume: 5953.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2539
• Weighted residual factors for all reflections included in the refinement: 0.304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No