Information card for entry 7009469

Structure parameters

• Formula: C60 H88 Mg2 N4
• Calculated formula: C60 H88 Mg2 N4
• Title of publication: Synthesis and characterisation of magnesium methyl complexes with monoanionic chelating nitrogen donor ligands and their reaction with dioxygen
• Authors of publication: Bailey, Philip J.; Dick, Caroline M. E.; Fabre, Sylvie; Parsons, Simon
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 10
• Pages of publication: 1655
• a: 14.068 ± 0.005 Å
• b: 14.903 ± 0.007 Å
• c: 14.11 ± 0.005 Å
• α: 90°
• β: 108.02 ± 0.03°
• γ: 90°
• Cell volume: 2813 ± 2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.191
• Weighted residual factors for all reflections included in the refinement: 0.2189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No