Information card for entry 4124417

Structure parameters

• Formula: C56 H74 B Fe N8
• Calculated formula: C56 H74 B Fe N8
• Title of publication: A Terminal N2 Complex of High-Spin Iron(I) in a Weak, Trigonal Ligand Field.
• Authors of publication: McSkimming, Alex; Harman, W. Hill
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 28
• Pages of publication: 8940 - 8943
• a: 11.5211 ± 0.0008 Å
• b: 18.3093 ± 0.0013 Å
• c: 23.3063 ± 0.0016 Å
• α: 90°
• β: 92.1689 ± 0.0012°
• γ: 90°
• Cell volume: 4912.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0605
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No