Information card for entry 4083588

Structure parameters

• Formula: C32 H54 Fe P2 Si2
• Calculated formula: C32 H54 Fe P2 Si2
• SMILES: [Fe]1([P@]2(C(C)(C)C)Cc3ccccc3[C@@H]2[C@@H]2[P@]1(Cc1c2cccc1)C(C)(C)C)(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: 9.6538 ± 0.0008 Å
• b: 18.279 ± 0.0015 Å
• c: 10.1808 ± 0.0008 Å
• α: 90°
• β: 100.308 ± 0.002°
• γ: 90°
• Cell volume: 1767.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0191
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No