Information card for entry 4021805

Structure parameters

• Formula: C26 H34 Cl2 N5 O1.5 Pd
• Calculated formula: C26 H29 Cl2 N5 O1.5 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: 22.812 ± 0.003 Å
• b: 15.838 ± 0.002 Å
• c: 14.956 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5403.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1166
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1545
• Weighted residual factors for all reflections included in the refinement: 0.1712
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No