Information card for entry 1517257

Structure parameters

• Chemical name: (Et-G1)1:LiBF4
• Formula: C6 H14 B F4 Li O2
• Calculated formula: C6 H14 B F4 Li O2
• 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: 7.108 ± 0.003 Å
• b: 9.283 ± 0.003 Å
• c: 15.675 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1034.3 ± 0.7 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No