Information card for entry 4134776

Structure parameters

• Formula: C80 H118 Fe K2 N6 O2
• Calculated formula: C80 H118 Fe K2 N6 O2
• 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: 14.1935 ± 0.0005 Å
• b: 14.9296 ± 0.0005 Å
• c: 20.5175 ± 0.0007 Å
• α: 106.481 ± 0.0014°
• β: 107.308 ± 0.0013°
• γ: 99.2665 ± 0.0014°
• Cell volume: 3834.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1438
• Residual factor for significantly intense reflections: 0.0881
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.2177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No