Information card for entry 4121811

Structure parameters

• Formula: C63 H81 Cl N4 Pd2
• Calculated formula: C63 H81 Cl N4 Pd2
• Title of publication: Insight into the efficiency of cinnamyl-supported precatalysts for the suzuki-miyaura reaction: observation of pd(i) dimers with bridging allyl ligands during catalysis.
• Authors of publication: Hruszkewycz, Damian P.; Balcells, David; Guard, Louise M.; Hazari, Nilay; Tilset, Mats
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 20
• Pages of publication: 7300 - 7316
• a: 12.1146 ± 0.0002 Å
• b: 24.5603 ± 0.0004 Å
• c: 20.2741 ± 0.0014 Å
• α: 90°
• β: 103.307 ± 0.007°
• γ: 90°
• Cell volume: 5870.4 ± 0.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 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: 0.0677
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No