Information card for entry 4088455

Structure parameters

• Formula: C28 H43 Na O3 Si
• Calculated formula: C28 H43 Na O3 Si
• SMILES: [C-](c1ccccc1)(c1ccccc1)[Si](C)(C)C.[O]1(CCCC1)[Na]([O]1CCCC1)[O]1CCCC1
• Title of publication: A Tertiary Carbon‒Iron Bond as an FeICl Synthon and the Reductive Alkylation of Diphosphine-Supported Iron(II) Chloride Complexes to Low-Valent Iron
• Authors of publication: Tondreau, Aaron M.; Scott, Brian L.; Boncella, James M.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1643
• a: 9.2148 ± 0.0008 Å
• b: 16.837 ± 0.0014 Å
• c: 17.8782 ± 0.0015 Å
• α: 90°
• β: 90.231 ± 0.002°
• γ: 90°
• Cell volume: 2773.8 ± 0.4 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: 0.0697
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1581
• Weighted residual factors for all reflections included in the refinement: 0.1689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No