Information card for entry 4127603

Structure parameters

• Formula: C142 H194 Mg4 N12 O6
• Calculated formula: C142 H194 Mg4 N12 O6
• Title of publication: Reductive Trimerization of CO to the Deltate Dianion Using Activated Magnesium(I) Compounds.
• Authors of publication: Yuvaraj, K.; Douair, Iskander; Paparo, Albert; Maron, Laurent; Jones, Cameron
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 22
• Pages of publication: 8764 - 8768
• a: 14.87 ± 0.003 Å
• b: 22.51 ± 0.005 Å
• c: 23.06 ± 0.005 Å
• α: 110.59 ± 0.03°
• β: 93.04 ± 0.03°
• γ: 107.64 ± 0.03°
• Cell volume: 6775 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0715
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.7109 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No