Information card for entry 7717252

Structure parameters

• Formula: C82 H73 Cl3 N2 Pd
• Calculated formula: C82 H73 Cl3 N2 Pd
• Title of publication: The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions.
• Authors of publication: Palio, Lorenzo; Nolan, Steven P.; Ruggiero, Tommaso; Bru, Francis; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 13.7772 ± 0.0002 Å
• b: 17.3254 ± 0.0002 Å
• c: 27.902 ± 0.0003 Å
• α: 90°
• β: 102.695 ± 0.001°
• γ: 90°
• Cell volume: 6497.27 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No