Information card for entry 1502612

Structure parameters

• Formula: C22 H17 Cl4 N3 Pd
• Calculated formula: C22 H17 Cl4 N3 Pd
• SMILES: [Pd]1([n]2c3c4c(ccc(C)[n]14)ccc3ccc2C)(c1ccc(C#N)cc1)Cl.C(Cl)(Cl)Cl
• Title of publication: Palladium-catalyzed C-C bond formation of arylhydrazines with olefins via carbon-nitrogen bond cleavage.
• Authors of publication: Zhu, Ming-Kui; Zhao, Jun-Feng; Loh, Teck-Peng
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 23
• Pages of publication: 6308 - 6311
• a: 8.2973 ± 0.0003 Å
• b: 29.0172 ± 0.001 Å
• c: 9.8779 ± 0.0003 Å
• α: 90°
• β: 108.728 ± 0.002°
• γ: 90°
• Cell volume: 2252.33 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No