Information card for entry 1576994

Structure parameters

• Formula: C70 H94 Fe2 N4 Rb2
• Calculated formula: C70 H94 Fe2 N4 Rb2
• 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: 12.31 ± 0.0004 Å
• b: 12.4451 ± 0.0004 Å
• c: 13.6698 ± 0.0006 Å
• α: 66.204 ± 0.004°
• β: 66.31 ± 0.004°
• γ: 62.018 ± 0.004°
• Cell volume: 1632.61 ± 0.13 ų
• Cell temperature: 99.98 ± 0.16 K
• Ambient diffraction temperature: 99.98 ± 0.16 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: 0.0935
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.212
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No