Information card for entry 4065000

Structure parameters

• Formula: C82 H122 N4 O11 P2 Pd2
• Calculated formula: C82 H122 N4 O11 P2 Pd2
• Title of publication: Direct C5-Arylation Reaction between Imidazoles and Aryl Chlorides Catalyzed by Palladium Complexes with Phosphines and N-Heterocyclic Carbenes
• Authors of publication: Kumar, P. Vijaya; Lin, Wu-Shien; Shen, Jiun-Shian; Nandi, Debkumar; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 19
• Pages of publication: 5160
• a: 13.5004 ± 0.0009 Å
• b: 17.7544 ± 0.0013 Å
• c: 19.0156 ± 0.0013 Å
• α: 90°
• β: 104.823 ± 0.004°
• γ: 90°
• Cell volume: 4406.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1306
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1968
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No