Information card for entry 4329887

Structure parameters

• Common name: 4
• Formula: C67 H57 Fe N2
• Calculated formula: C67 H57 Fe N2
• Title of publication: Ligand Effects on Hydrogen Atom Transfer from Hydrocarbons to Three-Coordinate Iron Imides
• Authors of publication: Ryan E. Cowley; Patrick L. Holland
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8352 - 8361
• a: 11.933 ± 0.004 Å
• b: 10.413 ± 0.003 Å
• c: 39.821 ± 0.012 Å
• α: 90°
• β: 92.013 ± 0.005°
• γ: 90°
• Cell volume: 4945 ± 3 ų
• Cell temperature: 103 ± 1 K
• Ambient diffraction temperature: 103 ± 1 K
• Number of distinct elements: 4
• 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: 0.192
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1381
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No