Information card for entry 7112645

Structure parameters

• Formula: C31 H52 Al Cl6 F3 Mg2 O7
• Calculated formula: C31 H52 Al Cl6 F3 Mg2 O7
• Title of publication: Enhanced oxidative stability of non-Grignard magnesium electrolytes through ligand modification
• Authors of publication: Emily G. Nelson; Jeff W. Kampf; Bart M. Bartlett
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 5193
• a: 19.9228 ± 0.0004 Å
• b: 15.0009 ± 0.0003 Å
• c: 28.215 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8432.3 ± 0.6 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2135
• Weighted residual factors for all reflections included in the refinement: 0.2162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No