Information card for entry 1570388

Structure parameters

• Common name: PW1
• Formula: C31 H48 Cl P Pd
• Calculated formula: C31 H48 Cl P Pd
• Title of publication: Visible light-induced palladium-carbon bond weakening in catalytically relevant T-shaped complexes.
• Authors of publication: Waddell, Peter M.; Tian, Lei; Scavuzzo, Anthony R.; Venigalla, Lalu; Scholes, Gregory D.; Carrow, Brad P.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14217 - 14228
• a: 12.1765 ± 0.0011 Å
• b: 14.8521 ± 0.0014 Å
• c: 16.3152 ± 0.0015 Å
• α: 86.928 ± 0.003°
• β: 74.898 ± 0.003°
• γ: 77.45 ± 0.003°
• Cell volume: 2780.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0745
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No