Information card for entry 4086805

Structure parameters

• Formula: C46 H38 Fe N4 O5.5
• Calculated formula: C46 H38 Fe N4 O5.5
• 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: 11.87 ± 0.001 Å
• b: 13.363 ± 0.001 Å
• c: 14.023 ± 0.001 Å
• α: 62.57 ± 0.01°
• β: 71.99 ± 0.01°
• γ: 67.97 ± 0.01°
• Cell volume: 1804.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0994
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No