Information card for entry 4135493

Structure parameters

• Formula: C48 H76 Fe N P Sn2
• Calculated formula: C48 H76 Fe N P Sn2
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[FeH]12345([P](c2c(cccc2)N[Sn]1(CCCC)CCCC)(c1ccccc1)c1ccccc1)[Sn](CCCC)(CCCC)CCCC)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: 10.3649 ± 0.0005 Å
• b: 12.66 ± 0.0006 Å
• c: 20.0264 ± 0.0007 Å
• α: 80.482 ± 0.003°
• β: 81.219 ± 0.004°
• γ: 66.868 ± 0.005°
• Cell volume: 2372.1 ± 0.2 ų
• Cell temperature: 172.99 ± 0.1 K
• Ambient diffraction temperature: 172.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No