Information card for entry 4134773

Structure parameters

• Formula: C79 H106 Fe2 K2 N8
• Calculated formula: C79 H106 Fe2 K2 N8
• Title of publication: Unusual Dinitrogen Binding and Electron Storage in Dinuclear Iron Complexes.
• Authors of publication: Sorsche, Dieter; Miehlich, Matthias E.; Searles, Keith; Gouget, Guillaume; Zolnhofer, Eva M.; Fortier, Skye; Chen, Chun-Hsing; Gau, Michael; Carroll, Patrick J.; Murray, Christopher B.; Caulton, Kenneth G.; Khusniyarov, Marat M.; Meyer, Karsten; Mindiola, Daniel J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 23.887 ± 0.004 Å
• b: 13.743 ± 0.002 Å
• c: 23.071 ± 0.004 Å
• α: 90°
• β: 99.689 ± 0.006°
• γ: 90°
• Cell volume: 7466 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.041
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No