Information card for entry 4134774

Structure parameters

• Formula: C60.5 H88 Fe2 K2 N8
• Calculated formula: C60.5 H88 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: 11.038 ± 0.0006 Å
• b: 14.8077 ± 0.0008 Å
• c: 19.1696 ± 0.0011 Å
• α: 103.576 ± 0.004°
• β: 103.321 ± 0.004°
• γ: 93.031 ± 0.004°
• Cell volume: 2944.7 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1862
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2322
• Weighted residual factors for all reflections included in the refinement: 0.2901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No