Information card for entry 7120726

Structure parameters

• Formula: C41 H54 Mg N2 O2
• Calculated formula: C41 H54 Mg N2 O2
• Title of publication: Ligand-induced reactivity of β-diketiminate magnesium complexes for regioselective functionalization of fluoroarenes via C-H or C-F bond activations
• Authors of publication: Hevia, Eva; Davin, Laia; McLellan, Ross; Kennedy, Alan
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.1082 ± 0.0008 Å
• b: 11.6359 ± 0.0009 Å
• c: 18.2169 ± 0.0017 Å
• α: 72.767 ± 0.007°
• β: 86.724 ± 0.007°
• γ: 84.098 ± 0.007°
• Cell volume: 1833.5 ± 0.3 ų
• Cell temperature: 122.8 K
• Ambient diffraction temperature: 122.8 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: 0.0892
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1296
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No