Information card for entry 4083587

Structure parameters

• Formula: C34 H46 Fe P2 Si2
• Calculated formula: C34 H46 Fe P2 Si2
• 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: 11.1336 ± 0.0009 Å
• b: 17.2498 ± 0.0013 Å
• c: 18.0041 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3457.7 ± 0.5 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: 0.0555
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No