Information card for entry 4134772

Structure parameters

• Formula: C84 H135 Fe2 K4 N8 O12.5
• Calculated formula: C84 H135 Fe2 K4 N8 O12.5
• 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: 18.267 ± 0.003 Å
• b: 21.858 ± 0.003 Å
• c: 23.701 ± 0.004 Å
• α: 90°
• β: 106.167 ± 0.007°
• γ: 90°
• Cell volume: 9089 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0929
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No