Information card for entry 1552407

Structure parameters

• Formula: C133 H97 Mg2 N4
• Calculated formula: C133 H97 Mg2 N4
• Title of publication: Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium
• Authors of publication: Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.551 ± 0.003 Å
• b: 14.651 ± 0.002 Å
• c: 22.814 ± 0.004 Å
• α: 96.351 ± 0.003°
• β: 103.923 ± 0.005°
• γ: 91.039 ± 0.005°
• Cell volume: 4686.7 ± 1.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1144
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.1857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No