Information card for entry 4105855

Structure parameters

• Common name: (ArDpme)FeCl
• Chemical name: 5-mesityl-1,9-di(2,4,6-triphenylphenyl)dipyrromethenato iron(II) chloride
• Formula: C81.31 H64.31 Cl Fe N2
• Calculated formula: C81.312 H64.312 Cl Fe N2
• 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: 15.84 ± 0.005 Å
• b: 21.273 ± 0.007 Å
• c: 19.136 ± 0.009 Å
• α: 90°
• β: 108.066 ± 0.005°
• γ: 90°
• Cell volume: 6130 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.83 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2403
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2152
• Weighted residual factors for all reflections included in the refinement: 0.3056
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No