Information card for entry 4088514

Structure parameters

• Formula: C18 H22 Cl2 N2 Pd
• Calculated formula: C18 H22 Cl2 N2 Pd
• SMILES: [Pd](Cl)(Cl)(C#[N]C(C)(C)C)[NH2]C(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Simple Immobilization of Palladium(II) Acyclic Diaminocarbene Complexes on Polystyrene Support as Efficient Catalysts for Sonogashira and Suzuki‒Miyaura Cross-Coupling
• Authors of publication: Mikhaylov, Vladimir N.; Sorokoumov, Viktor N.; Korvinson, Kirill A.; Novikov, Alexander S.; Balova, Irina A.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1684
• a: 11.28 ± 0.0005 Å
• b: 17.652 ± 0.0008 Å
• c: 19.0498 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3793.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No