Information card for entry 4063480

Structure parameters

• Formula: C34 H32 Cl2 N4 Pd
• Calculated formula: C34 H32 Cl2 N4 Pd
• SMILES: C1(N(C=CN1Cc1ccccc1)Cc1ccccc1)=[Pd](=C1N(C=CN1Cc1ccccc1)Cc1ccccc1)(Cl)Cl
• 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: 7.5602 ± 0.0009 Å
• b: 33.767 ± 0.004 Å
• c: 12.2325 ± 0.0015 Å
• α: 90°
• β: 95.88 ± 0.003°
• γ: 90°
• Cell volume: 3106.3 ± 0.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No