Information card for entry 1573474

Structure parameters

• Formula: C19 H20 Cl2 N4 O Pd
• Calculated formula: C19 H20 Cl2 N4 O Pd
• Title of publication: Enhancing activity and selectivity of palladium catalysts in ketone α-arylation by tailoring the imine chelate of pyridinium amidate (PYA) ligands.
• Authors of publication: Reusser, Esaïe; Aeschlimann, Michael; Albrecht, Martin
• Journal of publication: Catalysis science & technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 867 - 877
• a: 11.62997 ± 0.00006 Å
• b: 14.78476 ± 0.00007 Å
• c: 11.92053 ± 0.00006 Å
• α: 90°
• β: 105.047 ± 0.0005°
• γ: 90°
• Cell volume: 1979.42 ± 0.018 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0238
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No