Information card for entry 4088761

Structure parameters

• Formula: C34 H29 Cl2 N3 Pd
• Calculated formula: C34 H29 Cl2 N3 Pd
• SMILES: c1(ccccc1C)N1C(c2ccccc2)=C(c2ccccc2)N(c2ccccc2C)C1=[Pd](Cl)(Cl)[n]1ccccc1
• Title of publication: Sterically Encumbered Tetraarylimidazolium Carbene Pd-PEPPSI Complexes: Highly Efficient Direct Arylation of Imidazoles with Aryl Bromides under Aerobic Conditions
• Authors of publication: He, Xu-Xian; Li, Yinwu; Ma, Bei-Bei; Ke, Zhuofeng; Liu, Feng-Shou
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2655
• a: 11.6356 ± 0.0004 Å
• b: 23.0959 ± 0.0005 Å
• c: 12.5597 ± 0.0004 Å
• α: 90°
• β: 113.572 ± 0.004°
• γ: 90°
• Cell volume: 3093.59 ± 0.19 ų
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0516
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No