Information card for entry 4069488

Structure parameters

• Formula: C25 H45 Fe N3 O2 Si2
• Calculated formula: C25 H45 Fe N3 O2 Si2
• SMILES: [Fe]12([N]3[C@@H](COC=3c3[n]1c(ccc3)C1OC[C@H]([N]2=1)C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Enantiopure Pyridine Bis(oxazoline) “Pybox” and Bis(oxazoline) “Box” Iron Dialkyl Complexes: Comparison to Bis(imino)pyridine Compounds and Application to Catalytic Hydrosilylation of Ketones
• Authors of publication: Tondreau, Aaron M.; Darmon, Jonathan M.; Wile, Bradley M.; Floyd, Sarah K.; Lobkovsky, Emil; Chirik, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 13
• Pages of publication: 3928
• a: 16.0297 ± 0.0008 Å
• b: 12.0347 ± 0.0007 Å
• c: 15.597 ± 0.0008 Å
• α: 90°
• β: 92.797 ± 0.003°
• γ: 90°
• Cell volume: 3005.3 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0493
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No