Information card for entry 1575141

Structure parameters

• Formula: C40 H38 O5 P2 Pd
• Calculated formula: C40 H38 O5 P2 Pd
• Title of publication: Insights into the mechanism of active catalyst generation for the Pd^II(acac)₂/PPh₃ system in the context of telomerization of 1,3-butadiene.
• Authors of publication: Bouley, Bailey S.; Bae, Dae Young; Chakrabarti, Sagnik; Rosen, Mari; Kennedy, Robert D.; Mirica, Liviu M.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15486 - 15498
• a: 18.7562 ± 0.001 Å
• b: 10.3796 ± 0.0006 Å
• c: 34.981 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6810.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1138
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1588
• Weighted residual factors for all reflections included in the refinement: 0.1866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No