Information card for entry 4063478

Structure parameters

• Formula: C22 H21 Cl2 N3 Pd
• Calculated formula: C22 H21 Cl2 N3 Pd
• SMILES: C1(N(C=CN1Cc1ccccc1)Cc1ccccc1)=[Pd](Cl)(Cl)[n]1ccccc1
• Title of publication: Palladium Complexes with Carbene and Phosphine Ligands: Synthesis, Structural Characterization, and Direct Arylation Reactions between Aryl Halides and Alkynes
• Authors of publication: Chan, Kai-Ting; Tsai, Yi-Hua; Lin, Wu-Shien; Wu, Jia-Rong; Chen, Shih-Jung; Liao, Fu-Xing; Hu, Ching-Han; Lee, Hon Man
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 2
• Pages of publication: 463 - 472
• a: 9.0547 ± 0.0007 Å
• b: 25.3595 ± 0.0018 Å
• c: 9.7807 ± 0.0007 Å
• α: 90°
• β: 111.778 ± 0.001°
• γ: 90°
• Cell volume: 2085.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0292
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No