Information card for entry 7135702

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] cycloaddition of biferrocene-linked diynes 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 (Cambridge, England)
• Year of publication: 2026
• Journal volume: 62
• Journal issue: 33
• Pages of publication: 8451 - 8455
• a: 18.8836 ± 0.0005 Å
• b: 7.0009 ± 0.0002 Å
• c: 15.6731 ± 0.0005 Å
• α: 90°
• β: 106.368 ± 0.003°
• γ: 90°
• Cell volume: 1988.04 ± 0.1 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No