Information card for entry 4106022

Structure parameters

• Formula: C48 H68 Al Cl3 Mg2 O6
• Calculated formula: C48 H68 Al Cl3 Mg2 O6
• Title of publication: Structural Analysis of Electrolyte Solutions for Rechargeable Mg Batteries by Stereoscopic Means and DFT Calculations
• Authors of publication: Nir Pour; Yossi Gofer; Dan T. Major; Doron Aurbach
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 6270 - 6278
• a: 16.5236 ± 0.0009 Å
• b: 16.3584 ± 0.001 Å
• c: 39.2632 ± 0.0019 Å
• α: 90°
• β: 111.126 ± 0.002°
• γ: 90°
• Cell volume: 9899.5 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1164
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2093
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No