Information card for entry 7127087

Structure parameters

• Formula: C43 H69 I Mg N2
• Calculated formula: C43 H69 I Mg N2
• SMILES: [Mg]1(N(C(=CC(=[N]1c1c(cccc1C(CC)CC)C(CC)CC)C(C)(C)C)C(C)(C)C)c1c(cccc1C(CC)CC)C(CC)CC)I
• 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: 10.8072 ± 0.0003 Å
• b: 18.5224 ± 0.0003 Å
• c: 21.5987 ± 0.0004 Å
• α: 90°
• β: 104.313 ± 0.002°
• γ: 90°
• Cell volume: 4189.32 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No