Information card for entry 4135490

Structure parameters

• Formula: C28 H30 Fe N P
• Calculated formula: C28 H30 Fe N P
• SMILES: [Fe]12345([P](c6c(N1)cccc6)(c1ccccc1)c1ccccc1)[c]1([c]5([c]2([c]4([c]31C)C)C)C)C
• Title of publication: Iron-Catalyzed Regiodivergent Hydrostannation of Alkynes: Intermediacy of Fe(IV)‒H versus Fe(II)‒Vinylidene
• Authors of publication: Liu, Jianguo; Song, Heng; Wang, Tianlin; Jia, Jiong; Tong, Qing-Xiao; Tung, Chen-Ho; Wang, Wenguang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 9.068 ± 0.004 Å
• b: 18.588 ± 0.009 Å
• c: 14.778 ± 0.007 Å
• α: 90°
• β: 97.915 ± 0.006°
• γ: 90°
• Cell volume: 2467 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0883
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No