Information card for entry 4001603

Structure parameters

• Formula: C12 H28 B F4 Li O6
• Calculated formula: C12 H28 B F4 Li O6
• SMILES: F[B](F)(F)[F-].C[O]1CC[O]2[Li]134([O](C)CC2)[O](C)CC[O]3CC[O]4C
• Title of publication: Crystal Structures of Poly(Ethylene Oxide)3:LiBF4and (Diglyme)n:LiBF4(n= 1,2)
• Authors of publication: Andreev, Yuri G.; Seneviratne, Varuni; Khan, Masood; Henderson, Wesley A.; Frech, Roger E.; Bruce, Peter G.
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 767
• a: 10.3704 ± 0.0012 Å
• b: 11.6816 ± 0.0013 Å
• c: 15.3131 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1855.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No