Information card for entry 7046097

Structure parameters

• Formula: C44 H34 Fe N4 O4.5
• Calculated formula: C44 H34 Fe N4 O4.5
• Title of publication: A new anthraquinoid ligand for the iron-catalyzed hydrosilylation of carbonyl compounds at room temperature: new insights and kinetics.
• Authors of publication: Raya-Barón, Álvaro; Galdeano-Ruano, Carmen P; Oña-Burgos, Pascual; Rodríguez-Diéguez, Antonio; Langer, Robert; López-Ruiz, Rosalía; Romero-González, Roberto; Kuzu, Istemi; Fernández, Ignacio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 21
• Pages of publication: 7272 - 7281
• a: 15.547 ± 0.002 Å
• b: 14.268 ± 0.001 Å
• c: 17.633 ± 0.002 Å
• α: 90°
• β: 115.42 ± 0.01°
• γ: 90°
• Cell volume: 3532.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1678
• Residual factor for significantly intense reflections: 0.0717
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1791
• Goodness-of-fit parameter for all reflections included in the refinement: 0.897
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No