Information card for entry 4088456

Structure parameters

• Formula: C26 H31 Cl Fe N2 Si
• Calculated formula: C26 H31 Cl Fe N2 Si
• SMILES: [Fe](Cl)(C([Si](C)(C)C)c1ccccc1)([n]1ccccc1)[n]1ccccc1.c1ccccc1
• 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: 16.7047 ± 0.0013 Å
• b: 9.9238 ± 0.0008 Å
• c: 17.9359 ± 0.0014 Å
• α: 90°
• β: 117.395 ± 0.0011°
• γ: 90°
• Cell volume: 2639.9 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No