Information card for entry 1517427

Structure parameters

• Common name: bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide
• Chemical name: bis(1,5-Dimethoxy-3-oxapentane)-lithium iodide
• Formula: C12 H28 I Li O6
• Calculated formula: C12 H28 I Li O6
• Title of publication: Electrodeposition of Lithium from Lithium-Containing Solvate Ionic Liquids
• Authors of publication: Vanhoutte, Gijs; Brooks, Neil R.; Schaltin, Stijn; Opperdoes, Bastiaan; Van Meervelt, Luc; Locquet, Jean-Pierre; Vereecken, Philippe M.; Fransaer, Jan; Binnemans, Koen
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2014
• Journal volume: 118
• Journal issue: 35
• Pages of publication: 20152
• a: 10.1824 ± 0.0007 Å
• b: 12.0243 ± 0.0008 Å
• c: 14.6817 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1797.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0607
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No