Information card for entry 4089373

Structure parameters

• Formula: C20 H20 Cl2 N2 O Pd
• Calculated formula: C20 H20 Cl2 N2 O Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2ccccc2[C@H]([NH]1[C@@H](c1ccccc1)CO)c1ccccc1
• Title of publication: N-Heterocyclic Pyridylmethylamines: Synthesis, Complexation, Molecular Structure, and Application to Asymmetric Suzuki‒Miyaura and Oxidative Coupling Reactions
• Authors of publication: Grach, Guillaume; Pieters, Grégory; Dinut, Aurelia; Terrasson, Vincent; Medimagh, Raouf; Bridoux, Alexandre; Razafimahaleo, Vanessa; Gaucher, Anne; Marque, Sylvain; Marrot, Jérôme; Prim, Damien; Gil, Richard; Planas, José Giner; Viñas, Clara; Thomas, Isabelle; Roblin, Jean-Philippe; Troin, Yves
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 15
• Pages of publication: 4074
• a: 10.286 ± 0.002 Å
• b: 12.912 ± 0.003 Å
• c: 14.411 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1914 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.412
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No