Information card for entry 1559040

Structure parameters

• Formula: C23 H19 Cl N2 Pd
• Calculated formula: C23 H19 Cl N2 Pd
• SMILES: [Pd]1([N](=C(c2[n]1cccc2)c1ccccc1)c1cccc2ccccc12)(C)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: 8.491 ± 0.005 Å
• b: 20.059 ± 0.004 Å
• c: 11.557 ± 0.0006 Å
• α: 90°
• β: 94.884 ± 0.015°
• γ: 90°
• Cell volume: 1961.3 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0187
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No