Information card for entry 1518222

Structure parameters

• Common name: (EC)3:LiClO4
• Formula: C9 H12 Cl Li O13
• Calculated formula: C9 H12 Cl Li O13
• SMILES: [Li](OCl(=O)(=O)=O)([O]=C1OCCO1)([O]=C1OCCO1)[O]=C1OCCO1
• 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: 14.7963 ± 0.0006 Å
• b: 13.6149 ± 0.0005 Å
• c: 18.8067 ± 0.0008 Å
• α: 90°
• β: 129.438 ± 0.0017°
• γ: 90°
• Cell volume: 2926 ± 0.2 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0806
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1192
• 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: No
• Has Fobs: No