Information card for entry 7128824

Structure parameters

• Formula: C94 H108 Mg4 O12.5
• Calculated formula: C84 H88 Mg4 O10
• Title of publication: Reductive coupling of CO with magnesium anthracene complexes: formation of magnesium enediolates.
• Authors of publication: Yuvaraj, K.; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 73
• Pages of publication: 9224 - 9227
• a: 21.3094 ± 0.0002 Å
• b: 14.5347 ± 0.0002 Å
• c: 26.9566 ± 0.0003 Å
• α: 90°
• β: 100.011 ± 0.001°
• γ: 90°
• Cell volume: 8222.03 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.0599
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No