Information card for entry 1570385

Structure parameters

• Common name: PW8
• Formula: C39 H63 Cl N O P Pd
• Calculated formula: C39 H63 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: 12.5212 ± 0.0004 Å
• b: 17.2596 ± 0.0006 Å
• c: 18.8102 ± 0.0007 Å
• α: 90°
• β: 98.389 ± 0.002°
• γ: 90°
• Cell volume: 4021.6 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0481
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No