Information card for entry 7720982

Structure parameters

• Formula: C160 H120 Cl4 Fe2
• Calculated formula: C160 H120 Cl4 Fe2
• Title of publication: One-step synthesis of 1,3- and 1,1'-diarylated ferrocenes toward main-chain metallomacrocycles.
• Authors of publication: Li, Wenjuan; Li, Yuanping; Shi, Yanting; Xu, Hui; Zhu, Linyun; Chen, Xinyu; Li, Xiaopei; Yan, Jianfeng; Liu, Lantao; Li, Yuanming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 14
• Pages of publication: 5443 - 5447
• a: 18.3002 ± 0.0003 Å
• b: 19.1527 ± 0.0003 Å
• c: 21.2204 ± 0.0004 Å
• α: 109.699 ± 0.001°
• β: 112.891 ± 0.002°
• γ: 92.47 ± 0.001°
• Cell volume: 6319.5 ± 0.2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0945
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.1965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No