Information card for entry 7129711

Structure parameters

• Formula: C38 H26 Fe2 N4
• Calculated formula: C38 H26 Fe2 N4
• Title of publication: A dicyanomethyl radical stabilized by ferrocene: a new building block for radical-based dynamic covalent chemistry with redox activity
• Authors of publication: Ishimoto, Misato; Sakamaki, Daisuke; Fujiwara, Hideki
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 17.371 ± 0.002 Å
• b: 10.1537 ± 0.0016 Å
• c: 8.4136 ± 0.0015 Å
• α: 90°
• β: 103.231 ± 0.007°
• γ: 90°
• Cell volume: 1444.6 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No