Information card for entry 1547899

Structure parameters

• Formula: C16 H40 Al2 Cl10 Mg2 O8
• Calculated formula: C16 H40 Al2 Cl10 Mg2 O8
• SMILES: [Mg]123([Cl][Mg]45([O](C)CC[O]4C)([O](C)CC[O]5C)[Cl]3)([O](C)CC[O]1C)[O](CC[O]2C)C.Cl[Al](Cl)(Cl)[Cl-].[Al](Cl)(Cl)(Cl)[Cl-]
• 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: 26.523 ± 0.003 Å
• b: 7.284 ± 0.0007 Å
• c: 19.1745 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3704.4 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No