Information card for entry 7135128

Structure parameters

• Formula: C46 H45 Cl2 Fe2 N O6 S4
• Calculated formula: C46 H45 Cl2 Fe2 N O6 S4
• Title of publication: N-Heterocyclic Carbene-Catalyzed Asymmetric Synthesis of Bis-Ferrocene Derivatives bearing Two Stereogenic Planes
• Authors of publication: Li, Shiguang; Wang, Jiang; Lv, Ya; Chi, Yonggui Robin; Gan, Xiuhai; Wu, Xingxing
• Journal of publication: Chemical Communications
• Year of publication: 2025
• a: 10.6274 ± 0.0011 Å
• b: 13.5606 ± 0.0015 Å
• c: 31.507 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4540.6 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1074
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No