Information card for entry 7717249

Structure parameters

• Formula: C32 H48 Cl2 Pd2
• Calculated formula: C26 H34 Cl2 Pd2
• Title of publication: The role of the stabilizing/leaving group in palladium catalysed cross-coupling reactions.
• Authors of publication: Palio, Lorenzo; Bru, Francis; Ruggiero, Tommaso; Bourda, Laurens; Van Hecke, Kristof; Cazin, Catherine; Nolan, Steven P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 44
• Pages of publication: 18013 - 18020
• a: 6.0531 ± 0.0002 Å
• b: 13.6424 ± 0.0006 Å
• c: 38.9669 ± 0.0014 Å
• α: 90°
• β: 91.464 ± 0.004°
• γ: 90°
• Cell volume: 3216.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1214
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No