Information card for entry 4105852

Structure parameters

• Formula: C30 H41 Cl Fe N2 O
• Calculated formula: C30 H41 Cl Fe N2 O
• Title of publication: Catalytic C-H Bond Amination from High-Spin Iron Imido Complexes
• Authors of publication: Evan R. King; Elisabeth T. Hennessy; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 4917 - 4923
• a: 14.2661 ± 0.0005 Å
• b: 15.0088 ± 0.0005 Å
• c: 15.1843 ± 0.0005 Å
• α: 91.591 ± 0.002°
• β: 99.021 ± 0.002°
• γ: 115.438 ± 0.002°
• Cell volume: 2883.16 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No