Information card for entry 1570386

Structure parameters

• Common name: PW2
• Formula: C13 H30 Br P Pd
• Calculated formula: C13 H30 Br 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: 8.5537 ± 0.0002 Å
• b: 9.5525 ± 0.0002 Å
• c: 10.1463 ± 0.0002 Å
• α: 91.5542 ± 0.0009°
• β: 91.4639 ± 0.0009°
• γ: 94.101 ± 0.0009°
• Cell volume: 826.31 ± 0.03 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: 0.018
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No