Information card for entry 4121374

Structure parameters

• Formula: C19 H25 Br2 Fe N2 O P
• Calculated formula: C19 H25 Br2 Fe N2 O P
• SMILES: [Fe]12(Br)(Br)[n]3c(O[P]2(C(C)C)C(C)C)cccc3C(=[N]1c1ccccc1)C
• 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: 10.111 ± 0.002 Å
• b: 12.582 ± 0.003 Å
• c: 18.628 ± 0.004 Å
• α: 107.715 ± 0.004°
• β: 90.048 ± 0.004°
• γ: 90.537 ± 0.005°
• Cell volume: 2257.3 ± 0.9 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: 0.1109
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No