Information card for entry 4088513

Structure parameters

• Formula: C28 H40 Cl2 N4 Pd
• Calculated formula: C28 H40 Cl2 N4 Pd
• SMILES: [Pd](=C(NC(c1ccccc1)c1ccccc1)NC(C)(C)C)(Cl)(C#[N]C(C)(C)C)C#[N]C(C)(C)C.[Cl-]
• 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: 9.785 ± 0.0005 Å
• b: 11.2806 ± 0.0003 Å
• c: 14.3842 ± 0.0007 Å
• α: 96.504 ± 0.003°
• β: 99.873 ± 0.004°
• γ: 100.678 ± 0.003°
• Cell volume: 1519.79 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0267
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No