Information card for entry 7127088

Structure parameters

• Formula: C37 H57 I Mg N2
• Calculated formula: C37 H57 I Mg N2
• SMILES: I[Mg]1N(C(=CC(=[N]1c1c(cccc1C(CC)CC)C(CC)CC)C)C)c1c(cccc1C(CC)CC)C(CC)CC
• 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: 16.7941 ± 0.0004 Å
• b: 19.6395 ± 0.0004 Å
• c: 21.899 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7222.9 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0437
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No