Information card for entry 1517258

Structure parameters

• Chemical name: (Et-G2)1:LiBF4
• Formula: C24 H54 B3 F12 Li3 O9
• Calculated formula: C24 H54 B3 F12 Li3 O9
• Title of publication: Solvate Structures and Computational/Spectroscopic Characterization of LiBF4Electrolytes
• Authors of publication: Seo, Daniel M.; Boyle, Paul D.; Allen, Joshua L.; Han, Sang-Don; Jónsson, Erlendur; Johansson, Patrik; Henderson, Wesley A.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 32
• Pages of publication: 18377
• a: 16.139 ± 0.004 Å
• b: 27.437 ± 0.008 Å
• c: 8.805 ± 0.002 Å
• α: 90°
• β: 97.894 ± 0.007°
• γ: 90°
• Cell volume: 3862 ± 1.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No