Information card for entry 1576991

Structure parameters

• Formula: C70 H94 Fe2 K2 N4
• Calculated formula: C70 H94 Fe2 K2 N4
• 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: 12.3196 ± 0.0003 Å
• b: 12.4076 ± 0.0003 Å
• c: 13.5563 ± 0.0004 Å
• α: 66.048 ± 0.003°
• β: 65.925 ± 0.003°
• γ: 62.061 ± 0.003°
• Cell volume: 1611.03 ± 0.09 ų
• Cell temperature: 108.7 ± 0.3 K
• Ambient diffraction temperature: 108.7 ± 0.3 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: 0.0893
• Residual factor for significantly intense reflections: 0.0879
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No