Information card for entry 4079644

Structure parameters

• Formula: C29 H25 Cl Cu N3 O P Pd
• Calculated formula: C29 H25 Cl Cu N3 O P Pd
• SMILES: [Pd]12([P](c3c([N]2=CN2[Cu](Cl)([OH]1)[n]1cccc4c1c2ccc4)cccc3)(c1ccccc1)c1ccccc1)C
• Title of publication: Amination of Aryl Iodides Catalyzed by a Palladium‒Copper Complex Supported by a Chelate-Bridging Ligand
• Authors of publication: Tsukada, Naofumi; Ohnishi, Nozomi; Aono, Shiori; Takahashi, Fusako
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7336
• a: 8.988 ± 0.0019 Å
• b: 16.463 ± 0.004 Å
• c: 18.052 ± 0.004 Å
• α: 90°
• β: 96.037 ± 0.003°
• γ: 90°
• Cell volume: 2656.3 ± 1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.2011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No