Information card for entry 7122830

Structure parameters

• Formula: C74 H108 F Fe Mg2 N4 O2
• Calculated formula: C74 H108 F Fe Mg2 N4 O2
• Title of publication: Unravelling Nucleophilic Aromatic Substitution Pathways with Bimetallic Nucleophiles
• Authors of publication: Garçon, Martí; Bakewell, Clare; White, Andrew J. P.; Crimmin, Mark Richard
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 14.05485 ± 0.00017 Å
• b: 26.9731 ± 0.0003 Å
• c: 20.1112 ± 0.0002 Å
• α: 90°
• β: 108.102 ± 0.0012°
• γ: 90°
• Cell volume: 7246.86 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0677
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1171
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No