Information card for entry 1557547

Structure parameters

• Formula: C117 H144 Mg4 N12 O4
• Calculated formula: C117 H144 Mg4 N12 O4
• Title of publication: Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation
• Authors of publication: Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 13
• Pages of publication: 3516 - 3522
• a: 15.1058 ± 0.0002 Å
• b: 19.0783 ± 0.0002 Å
• c: 20.0582 ± 0.0002 Å
• α: 85.762 ± 0.001°
• β: 88.909 ± 0.001°
• γ: 66.998 ± 0.001°
• Cell volume: 5306.17 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0672
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1696
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No