Information card for entry 4089374

Structure parameters

• Formula: C20 H20 Cl2 N2 Pd
• Calculated formula: C20 H20 Cl2 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[n]2ccccc2[C@@H](c2ccccc2)[NH]1[C@@H](c1ccccc1)C
• 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: 10.1669 ± 0.0012 Å
• b: 11.8011 ± 0.0013 Å
• c: 15.7914 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1894.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0217
• Residual factor for significantly intense reflections: 0.0212
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No