Information card for entry 4122962

Structure parameters

• Common name: holkg14
• Formula: C66 H81 Cl Cs2 Fe3 N10
• Calculated formula: C66 H81 Cl0.9999 Cs2 Fe3 N10.0002
• Title of publication: Alkali Metal Control over N-N Cleavage in Iron Complexes.
• Authors of publication: Grubel, Katarzyna; Brennessel, William W.; Mercado, Brandon Q.; Holland, Patrick L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141120101403003
• a: 14.2235 ± 0.0011 Å
• b: 14.2235 ± 0.0011 Å
• c: 64.483 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11297.7 ± 1.5 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1122
• 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