Information card for entry 7235802

Structure parameters

• Formula: C60 H78 Cl2 Mg4 O12
• Calculated formula: C60.0008 H78.0016 Cl2 Mg4 O12.0002
• Title of publication: A magnesium tetraphenylaluminate battery electrolyte exhibits a wide electrochemical potential window and reduces stainless steel corrosion
• Authors of publication: Nelson, Emily G.; Brody, Scott I.; Kampf, Jeff W.; Bartlett, Bart M.
• Journal of publication: J. Mater. Chem. A
• Year of publication: 2014
• Journal volume: 2
• Journal issue: 43
• Pages of publication: 18194
• a: 12.8707 ± 0.0007 Å
• b: 19.0698 ± 0.0004 Å
• c: 12.8991 ± 0.0007 Å
• α: 90°
• β: 102.113 ± 0.004°
• γ: 90°
• Cell volume: 3095.5 ± 0.3 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No