Information card for entry 1576993

Structure parameters

• Formula: C65.5 H105 Fe N2 O12 Rb
• Calculated formula: C65.5 H105 Fe N2 O12 Rb
• 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 S.; Mercado, Brandon Q.; Krajewski, Sebastian M.; Wang, Xiaoping; Holland, Patrick L.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 10061 - 10066
• a: 20.1945 ± 0.0002 Å
• b: 25.8326 ± 0.0002 Å
• c: 26.0611 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13595.5 ± 0.2 ų
• Cell temperature: 107.1 ± 0.4 K
• Ambient diffraction temperature: 107.1 ± 0.4 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.0858
• Weighted residual factors for significantly intense reflections: 0.1611
• Weighted residual factors for all reflections included in the refinement: 0.1812
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No