Information card for entry 1570390

Structure parameters

• Common name: PW4
• Formula: C21 H45 Cl N O P Pd
• Calculated formula: C21 H45 Cl N O 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: 14.7317 ± 0.0003 Å
• b: 12.1009 ± 0.0003 Å
• c: 14.8868 ± 0.0003 Å
• α: 90°
• β: 115.664 ± 0.001°
• γ: 90°
• Cell volume: 2392.03 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0257
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No