Information card for entry 7120725

Structure parameters

• Formula: C39 H50 F4 Mg N2 O
• Calculated formula: C39 H50 F4 Mg N2 O
• 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: 12.443 ± 0.0004 Å
• b: 16.6363 ± 0.0006 Å
• c: 18.2241 ± 0.0006 Å
• α: 90°
• β: 97.499 ± 0.003°
• γ: 90°
• Cell volume: 3740.2 ± 0.2 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1511
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0423
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No