Information card for entry 1547900

Structure parameters

• Formula: C8 H20 Cl2 Mg O4
• Calculated formula: C8 H20 Cl2 Mg O4
• SMILES: [Mg]12(Cl)(Cl)([O](C)CC[O]1C)[O](C)CC[O]2C
• Title of publication: Structural Analysis of Magnesium Chloride Complexes in Dimethoxyethane Solutions in the Context of Mg Batteries Research
• Authors of publication: Salama, Michael; Shterenberg, Ivgeni; J.W. Shimon, Linda; Keinan-Adamsky, Keren; Afri, Michal; Gofer, Yosef; Aurbach, Doron
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 45
• Pages of publication: 24909
• a: 7.3174 ± 0.0004 Å
• b: 7.3446 ± 0.0004 Å
• c: 14.081 ± 0.0007 Å
• α: 83.146 ± 0.002°
• β: 85.655 ± 0.002°
• γ: 62.313 ± 0.002°
• Cell volume: 665.14 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0545
• Weighted residual factors for all reflections included in the refinement: 0.0568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No