Information card for entry 1518224

Structure parameters

• Common name: (EC)2:LiBF4
• Formula: C6 H8 B F4 Li O6
• Calculated formula: C6 H8 B F4 Li O6
• Title of publication: Structural Interactions within Lithium Salt Solvates: Cyclic Carbonates and Esters
• Authors of publication: Seo, Daniel M.; Afroz, Taliman; Allen, Joshua L.; Boyle, Paul D.; Trulove, Paul C.; De Long, Hugh C.; Henderson, Wesley A.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 45
• Pages of publication: 25884
• a: 31.63 ± 0.009 Å
• b: 5.1779 ± 0.0015 Å
• c: 12.978 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2125.5 ± 1.1 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No