Information card for entry 4081705

Structure parameters

• Formula: C33 H58 Co N3 P Si2
• Calculated formula: C33 H58 Co N3 P Si2
• SMILES: [Co]1([P](C(C)(C)C)(N=C(N1c1c(cccc1C(C)C)C(C)C)c1ccccc1)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: 17.622 ± 0.0013 Å
• b: 19.4261 ± 0.0014 Å
• c: 22.771 ± 0.0016 Å
• α: 90°
• β: 107.328 ± 0.001°
• γ: 90°
• Cell volume: 7441.3 ± 0.9 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: 0.067
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No