Information card for entry 1576992

Structure parameters

• Formula: C46.5 H71 Fe K N2 O6
• Calculated formula: C46.5 H71 Fe K N2 O6
• Title of publication: Alkali Metal Cation Effects for Rapid C–H Activation by Iron(0) Complexes
• Authors of publication: Hidalgo, Nereida; Southwell, Kendal W.; Donnelly, Ryan; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 12.5751 ± 0.0003 Å
• b: 17.5962 ± 0.0006 Å
• c: 21.7879 ± 0.0005 Å
• α: 90°
• β: 97.665 ± 0.002°
• γ: 90°
• Cell volume: 4778 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1917
• Residual factor for significantly intense reflections: 0.1097
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No