Information card for entry 1547901

Structure parameters

• Formula: C24 H50 Cl4 F12 Mg3 N2 O18 S4
• Calculated formula: C24 H50 Cl4 F12 Mg3 N2 O18 S4
• SMILES: [Cl]1[Mg]23([Cl][Mg]451([O](C)CC[O]4C)[O](CC[O]5C)C)([Cl][Mg]14([Cl]2)([O](C)CC[O]1C)[O](CC[O]4C)C)[O](C)CC[O]3C.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F.S(=O)(=O)(N=S([O-])(=O)C(F)(F)F)C(F)(F)F
• 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: 23.2385 ± 0.0007 Å
• b: 13.4472 ± 0.0005 Å
• c: 16.6436 ± 0.0005 Å
• α: 90°
• β: 100.815 ± 0.002°
• γ: 90°
• Cell volume: 5108.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No