Information card for entry 1504722

Structure parameters

• Formula: C29 H53 Fe N3 Si2
• Calculated formula: C29 H53 Fe N3 Si2
• SMILES: [Fe]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2C1CCCCC1)C)C1CCCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Bis(imino)pyridine iron complexes for aldehyde and ketone hydrosilylation.
• Authors of publication: Tondreau, Aaron M.; Lobkovsky, Emil; Chirik, Paul J.
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 13
• Pages of publication: 2789 - 2792
• a: 10.2047 ± 0.0007 Å
• b: 10.8572 ± 0.0007 Å
• c: 15.5304 ± 0.001 Å
• α: 70.723 ± 0.003°
• β: 81.924 ± 0.003°
• γ: 78.508 ± 0.002°
• Cell volume: 1586.45 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No