Information card for entry 4122963

Structure parameters

• Common name: holkg15
• Formula: C66 H81 Fe3 N12 Rb2
• Calculated formula: C66 H81 Fe3 N12 Rb2
• 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: 14.202 ± 0.003 Å
• b: 14.202 ± 0.003 Å
• c: 64.058 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11189 ± 4 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 5
• 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: 0.1641
• Residual factor for significantly intense reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.2138
• Weighted residual factors for all reflections included in the refinement: 0.2472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.185
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No