Information card for entry 1554055

Structure parameters

• Common name: (DEC)2:LiPF6
• Formula: C5 H10 F3 Li0.5 O3 P0.5
• Calculated formula: C5 H10 F3 Li0.5 O3 P0.5
• Title of publication: Solvate Structures and Computational/Spectroscopic Characterization of LiPF6 Electrolytes
• Authors of publication: Han, Sang-Don; Yun, Sung-Hyun; Borodin, Oleg; Seo, Daniel M.; Sommer, Roger D.; Young, Victor G.; Henderson, Wesley A.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2015
• Journal volume: 119
• Journal issue: 16
• Pages of publication: 8492
• a: 9.5125 ± 0.0006 Å
• b: 21.8997 ± 0.0013 Å
• c: 8.5903 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1789.5 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1045
• Residual factor for significantly intense reflections: 0.0826
• Weighted residual factors for significantly intense reflections: 0.2273
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No