Information card for entry 4081702

Structure parameters

• Formula: C27 H41 N2 P
• Calculated formula: C27 H41 N2 P
• SMILES: P(N/C(=N\c1c(cccc1C(C)C)C(C)C)c1ccccc1)(C(C)(C)C)C(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: 15.6183 ± 0.0007 Å
• b: 11.6578 ± 0.0005 Å
• c: 29.7284 ± 0.0012 Å
• α: 90°
• β: 104.494 ± 0.001°
• γ: 90°
• Cell volume: 5240.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No