Information card for entry 1559044

Structure parameters

• Formula: C22 H19 Cl N2 Pd
• Calculated formula: C22 H19 Cl N2 Pd
• SMILES: C[Pd]1([N](=C(c2cccc[n]12)C)c1cc2cc3ccccc3cc2cc1)Cl
• Title of publication: Pd-Catalyzed CO/Vinyl Arene Copolymerization: when the Stereochemistry is Controlled by the Comonomer
• Authors of publication: Dall’Anese, Anna; Fiorindo, Mattia; Olivieri, Diego; Carfagna, Carla; Balducci, Gabriele; Alessio, Enzo; Durand, Jérôme; Milani, Barbara
• Journal of publication: Macromolecules
• Year of publication: 2020
• Journal volume: 53
• Journal issue: 18
• Pages of publication: 7783 - 7794
• a: 8.939 ± 0.004 Å
• b: 10.618 ± 0.0017 Å
• c: 38.547 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3658.7 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No