Information card for entry 1573992

Structure parameters

• Formula: C42 H42 Co F3 N2 P4
• Calculated formula: C42 H42 Co F3 N2 P4
• SMILES: [CoH]12([P]3(N(CCN3c3c([P]2(c2ccccc2)c2ccccc2)cccc3)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)C(F)(F)F)[P](C)(C)C
• 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: 11.0941 ± 0.0004 Å
• b: 22.838 ± 0.0009 Å
• c: 15.192 ± 0.0006 Å
• α: 90°
• β: 93.182 ± 0.002°
• γ: 90°
• Cell volume: 3843.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• 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