Information card for entry 4021803

Structure parameters

• Formula: C20 H27 B Cl F4 N5 Pd
• Calculated formula: C20 H19.5 B Cl F4 N5 Pd
• Title of publication: Pyridyl-Supported Pyrazolyl-N-Heterocyclic Carbene Ligands and the Catalytic Activity of Their Palladium Complexes in Suzuki-Miyaura Reactions
• Authors of publication: Fanlong Zeng; Zhengkun Yu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 5274 - 5281
• a: 13.5919 ± 0.0014 Å
• b: 19.444 ± 0.002 Å
• c: 20.692 ± 0.002 Å
• α: 67.405 ± 0.002°
• β: 74.981 ± 0.002°
• γ: 75.348 ± 0.002°
• Cell volume: 4803.6 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1714
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1729
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No