Information card for entry 7720981

Structure parameters

• Formula: C22 H16 Br2 Fe
• Calculated formula: C22 H16 Br2 Fe
• 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: 7.7343 ± 0.0006 Å
• b: 11.0932 ± 0.0008 Å
• c: 21.7094 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1862.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No