Information card for entry 7135703

Structure parameters

• Formula: C26 H22 Fe2
• Calculated formula: C26 H22 Fe2
• Title of publication: Synthesis of planar chiral biferrocenes by iridium-catalyzed [2+2+2] cycloadition of a biferrocene-linked diyne with nitriles: asymmetric desymmetrization and kinetic resolution
• Authors of publication: Sawano, Takahiro; Murata, Kayo; Suzaki, Tomoaki; Urasawa, Kazuki; Kobayashi, Manami; Aso, Ryota; Ozasa, Kazuki; Ishikawa, Eri; Takeuchi, Ryo
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 17.997 ± 0.007 Å
• b: 17.997 ± 0.007 Å
• c: 16.198 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4544 ± 3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No