Information card for entry 4083589

Structure parameters

• Formula: C26 H50 Fe P2 Si2
• Calculated formula: C26 H50 Fe P2 Si2
• SMILES: [Fe]1([P]2([C@H](C)CC[C@H]2C)c2c([P]31[C@H](C)CC[C@H]3C)cccc2)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Synthesis and Hydrogenation Activity of Iron Dialkyl Complexes with Chiral Bidentate Phosphines
• Authors of publication: Hoyt, Jordan M.; Shevlin, Michael; Margulieux, Grant W.; Krska, Shane W.; Tudge, Matthew T.; Chirik, Paul J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 20
• Pages of publication: 5781
• a: 10.0928 ± 0.0002 Å
• b: 15.2244 ± 0.0003 Å
• c: 20.1436 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3095.2 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0241
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No