Information card for entry 7127090

Structure parameters

• Formula: C46.79 H77.58 Mg N2
• Calculated formula: C46.788 H77.576 Mg N2
• Title of publication: Mg-Mg bond polarization induced by a superbulky β-diketiminate ligand.
• Authors of publication: Rösch, Bastian; Gentner, Thomas Xaver; Eyselein, Jonathan; Friedrich, Alexander; Langer, Jens; Harder, Sjoerd
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 77
• Pages of publication: 11402 - 11405
• a: 10.1571 ± 0.0004 Å
• b: 10.6195 ± 0.0003 Å
• c: 21.6789 ± 0.0005 Å
• α: 97.526 ± 0.002°
• β: 99.465 ± 0.002°
• γ: 105.672 ± 0.003°
• Cell volume: 2182.57 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No