Information card for entry 4081704

Structure parameters

• Formula: C33 H58 Fe N3 P Si2
• Calculated formula: C33 H58 Fe N3 P Si2
• SMILES: [Fe]1([P](N=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C(C)(C)C)C(C)(C)C)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: (N-Phosphinoamidinate)Iron Pre-Catalysts for the Room Temperature Hydrosilylation of Carbonyl Compounds with Broad Substrate Scope at Low Loadings
• Authors of publication: Ruddy, Adam J.; Kelly, Colin M.; Crawford, Sarah M.; Wheaton, Craig A.; Sydora, Orson L.; Small, Brooke L.; Stradiotto, Mark; Turculet, Laura
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5581
• a: 17.7285 ± 0.0011 Å
• b: 19.4132 ± 0.0012 Å
• c: 22.7688 ± 0.0014 Å
• α: 90°
• β: 107.541 ± 0.001°
• γ: 90°
• Cell volume: 7471.9 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0875
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No