Information card for entry 4086806

Structure parameters

• Formula: C40.5 H27 Cl Fe N4 O4
• Calculated formula: C40.5 H27 Cl Fe N4 O4
• Title of publication: Efficient Hydrosilylation of Acetophenone with a New Anthraquinonic Amide-Based Iron Precatalyst
• Authors of publication: Raya-Barón, Álvaro; Ortuño, Manuel A.; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; Cramer, Christopher J.; Kuzu, Istemi; Fernández, Ignacio
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 12.144 ± 0.001 Å
• b: 22.421 ± 0.001 Å
• c: 12.28 ± 0.001 Å
• α: 90°
• β: 108.03 ± 0.01°
• γ: 90°
• Cell volume: 3179.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0355
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No