Information card for entry 4119118

Structure parameters

• Common name: Bis((2,6-diisopropylphenyl)iminopyridyl) pyridine iron(II)
• Formula: C41 H49 Fe N5
• Calculated formula: C41 H49 Fe N5
• SMILES: [Fe]12([n]3ccccc3C=[N]1c1c(cccc1C(C)C)C(C)C)([n]1ccccc1C=[N]2c1c(cccc1C(C)C)C(C)C)[n]1ccccc1
• Title of publication: A Strategy for the Synthesis of Well-Defined Iron Catalysts and Application to Regioselective Diene Hydrosilylation
• Authors of publication: Wu, Jessica Y.; Stanzl, Benjamin N.; Ritter, Tobias
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Journal issue: 38
• Pages of publication: 13214 - 13216
• a: 11.816 ± 0.002 Å
• b: 17.074 ± 0.003 Å
• c: 19.126 ± 0.003 Å
• α: 102.702 ± 0.003°
• β: 100.082 ± 0.003°
• γ: 99.736 ± 0.003°
• Cell volume: 3618.4 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4103138
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No