Information card for entry 1573994

Structure parameters

• Formula: C55 H57 Co F3 N2 O2 P3
• Calculated formula: C47 H41 Co F3 N2 P3
• Title of publication: Efficient and selective hydroboration of alkenes catalyzed by an air-stable (PP^CF3P)CoI₂ precatalyst.
• Authors of publication: Fitzsimmons, Matthew C.; Seith, Maria C.; Moore, Curtis E.; Thomas, Christine M.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 5717 - 5725
• a: 24.0754 ± 0.0015 Å
• b: 12.3634 ± 0.0008 Å
• c: 34.026 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10128 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• 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: 0.0719
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No