Information card for entry 1532506

Structure parameters

• Formula: C37 H56 Fe O3 P Si4 Sn
• Calculated formula: C37 H56 Fe O3 P Si4 Sn
• 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: 11.387 ± 0.003 Å
• b: 14.883 ± 0.004 Å
• c: 24.983 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4233.9 ± 1.9 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No