Information card for entry 4069611

Structure parameters

• Formula: C33 H26 Cl4 N2 Pd
• Calculated formula: C33 H26 Cl4 N2 Pd
• SMILES: [Pd]1(Cl)([n]2c3c([N]41Cc1ccc5ccccc5c1c1c5ccccc5ccc1C4)cccc3ccc2)C.C(Cl)(Cl)Cl
• Title of publication: Application of Chiral Amine-Imine Ligands in Palladium-Catalyzed Polyketone Synthesis: Effect of Ligand Backbone on the Polymer Stereochemistry
• Authors of publication: Axet, M. Rosa; Amoroso, Francesco; Bottari, Giovanni; D’Amora, Angela; Zangrando, Ennio; Faraone, Felice; Drommi, Dario; Saporita, Maria; Carfagna, Carla; Natanti, Paolo; Seraglia, Roberta; Milani, Barbara
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4464
• a: 8.25 ± 0.003 Å
• b: 20.859 ± 0.004 Å
• c: 9.051 ± 0.003 Å
• α: 90°
• β: 110.62 ± 0.03°
• γ: 90°
• Cell volume: 1457.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.144
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.16
• Goodness-of-fit parameter for all reflections included in the refinement: 0.822
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No