Information card for entry 7119871

Structure parameters

• Formula: C14 H50 B18 Mg O6
• Calculated formula: C14 H50 B18 Mg O6
• SMILES: [Mg]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C.[CH]123[BH]456[BH]781[BH]192[BH]234[BH]345[BH]567[BH]681[BH]923[BH]456.[CH]123[BH]456[BH]781[BH]192[BH]234[BH]345[BH]567[BH]681[BH]923[BH]456
• Title of publication: Below the 12-vertex: 10-vertex carborane anions as non-corrosive, halide free, electrolytes for rechargeable Mg batteries.
• Authors of publication: McArthur, Scott G.; Jay, Rahul; Geng, Linxiao; Guo, Juchen; Lavallo, Vincent
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 32
• Pages of publication: 4453 - 4456
• a: 20.731 ± 0.001 Å
• b: 10.6782 ± 0.0005 Å
• c: 14.3738 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3181.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0811
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No