Information card for entry 4121373

Structure parameters

• Formula: C28 H43 Cl4 Fe N2 O P
• Calculated formula: C28 H43 Cl4 Fe N2 O P
• SMILES: [Fe]12([P](Oc3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)C)(C(C)(C)C)C(C)(C)C)(Cl)Cl.ClCCl
• Title of publication: Phosphinite-Iminopyridine Iron Catalysts for Chemoselective Alkene Hydrosilylation
• Authors of publication: Dongjie Peng; Yanlu Zhang; Xiaoyong Du; Lei Zhang; Xuebing Leng; Marc D. Walter; Zheng Huang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 19154 - 19166
• a: 10.068 ± 0.003 Å
• b: 15.684 ± 0.004 Å
• c: 20.994 ± 0.006 Å
• α: 101.281 ± 0.005°
• β: 97.097 ± 0.004°
• γ: 90.207 ± 0.005°
• Cell volume: 3224.8 ± 1.6 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1964
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1525
• Weighted residual factors for all reflections included in the refinement: 0.1851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No