Information card for entry 4110279

Structure parameters

• Formula: C61 H83 Fe N4 Na O7
• Calculated formula: C61.02 H75 Fe N4 Na O6.99
• Title of publication: N~2~O Activation and Oxidation Reactivity from a Non-Heme Iron Pyrrole Platform
• Authors of publication: W. Hill Harman; Christopher J. Chang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 15128 - 15129
• a: 13.596 ± 0.001 Å
• b: 13.596 ± 0.001 Å
• c: 55.303 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8853.2 ± 1.2 ų
• Cell temperature: 168.2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 2.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No