Information card for entry 1575548

Structure parameters

• Formula: C36 H24 Fe3
• Calculated formula: C36.0144 H24.0096 Fe3.0012
• Title of publication: An acetylene-bridged ferrocene macrocycle: efficient synthesis and electron transfer mechanism in mixed-valence systems.
• Authors of publication: Li, Longfei; Zhang, Beijing; Xie, Yi; Xiong, Qi; Zhong, Yuanbo; Jiang, Yansong; Wang, Yu; Wang, Haobing; Jiang, Shang-Da; Zhou, Shen; Jiang, Xing
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 37
• Pages of publication: 17268 - 17275
• a: 10.3956 ± 0.0002 Å
• b: 10.3956 ± 0.0002 Å
• c: 20.2799 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1898 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No