Information card for entry 7049613

Structure parameters

• Formula: C60 H92 B2 Mg2 N4 O4
• Calculated formula: C60 H92 B2 Mg2 N4 O4
• Title of publication: The complex reactivity of β-diketiminato magnesium(i) dimers towards pinacolborane: implications for catalysis.
• Authors of publication: Jones, Dafydd D. L.; Matthews, Aidan J. R.; Jones, Cameron
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 5785 - 5792
• a: 11.9366 ± 0.0002 Å
• b: 14.502 ± 0.0002 Å
• c: 18.095 ± 0.0003 Å
• α: 74.584 ± 0.001°
• β: 84.627 ± 0.001°
• γ: 76.951 ± 0.001°
• Cell volume: 2939.77 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No