Information card for entry 4111939

Structure parameters

• Formula: C41 H66 Fe N3 Si2
• Calculated formula: C41 H66 Fe N3 Si2
• Title of publication: Metal versus Ligand Alkylation in the Reactivity of the (Bis-iminopyridinato)Fe Catalyst
• Authors of publication: Jennifer Scott; Sandro Gambarotta; Ilia Korobkov; Peter H. M. Budzelaar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 13019 - 13029
• a: 9.8426 ± 0.0012 Å
• b: 18.821 ± 0.002 Å
• c: 22.748 ± 0.003 Å
• α: 90°
• β: 91.684 ± 0.002°
• γ: 90°
• Cell volume: 4212.2 ± 0.9 ų
• Cell temperature: 206 ± 2 K
• Ambient diffraction temperature: 206 ± 2 K
• Number of distinct elements: 5
• 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: 0.105
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No