Information card for entry 1518226

Structure parameters

• Common name: (GBL)4:LiPF6
• Formula: C16 H24 F6 Li O8 P
• Calculated formula: C16 H24 F6 Li O8 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[O](=C1OCCC1)[Li]([O]=C1OCCC1)([O]=C1OCCC1)[O]=C1OCCC1
• 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: 10.74 ± 0.003 Å
• b: 11.985 ± 0.004 Å
• c: 16.694 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2148.8 ± 1.1 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: 0.146
• Residual factor for significantly intense reflections: 0.066
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No