Information card for entry 1532504

Structure parameters

• Formula: C26 H52 Fe N O3 P Si4
• Calculated formula: C26 H52 Fe N O3 P Si4
• SMILES: [Fe]1(P2C([Si](C)(C)C)([Si](C)(C)C)CCC2([Si](C)(C)C)[Si](C)(C)C)(O[N]21C1CC3CC2CC3C1)(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: 9.4542 ± 0.0008 Å
• b: 11.3877 ± 0.001 Å
• c: 16.3807 ± 0.0015 Å
• α: 75.408 ± 0.005°
• β: 87.846 ± 0.007°
• γ: 79.154 ± 0.006°
• Cell volume: 1676.1 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No