Information card for entry 1532505

Structure parameters

• Formula: C22 H49 Fe O3 P Si5
• Calculated formula: C22 H49 Fe O3 P Si5
• SMILES: [Fe]([P]1C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)(C#[O])(C#[O])C#[O]
• Title of publication: Persistent four-coordinate iron-centered radical stabilized by π-donation
• Authors of publication: Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki
• Journal of publication: Chem. Sci.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 191
• a: 11.1846 ± 0.0009 Å
• b: 11.2283 ± 0.001 Å
• c: 14.972 ± 0.002 Å
• α: 83.758 ± 0.015°
• β: 76.946 ± 0.013°
• γ: 60.902 ± 0.008°
• Cell volume: 1600.5 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No