Information card for entry 1548849

Structure parameters

• Formula: C6 H8 F3 Li N4 O4
• Calculated formula: C6 H8 F3 Li N4 O4
• SMILES: FC(F)(F)c1[n-]c(c(n1)C#[N][Li]([OH2])([OH2])[OH2])C#N.O
• Title of publication: Snapshots of the Hydrolysis of Lithium 4,5-Dicyanoimidazolate‒Glyme Solvates. Impact of Water Molecules on Aggregation Processes in Lithium-Ion Battery Electrolytes
• Authors of publication: Dranka, Maciej; Jankowski, Piotr; Żukowska, Grażyna Z.
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2018
• a: 9.0805 ± 0.0012 Å
• b: 6.7141 ± 0.0006 Å
• c: 18.9826 ± 0.0018 Å
• α: 90°
• β: 91.321 ± 0.009°
• γ: 90°
• Cell volume: 1157 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1392
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No