Information card for entry 4038896

Structure parameters

• Formula: C38 H37 Cl2 N3 Pd
• Calculated formula: C38 H37 Cl2 N3 Pd
• Title of publication: Well-Defined Palladium N-Heterocyclic Carbene Complexes: Direct C‒H Bond Arylation of Heteroarenes
• Authors of publication: Kumar, Anuj; Kumar, Manoj; Verma, Akhilesh K.
• Journal of publication: The Journal of Organic Chemistry
• Year of publication: 2020
• a: 8.1816 ± 0.0005 Å
• b: 17.041 ± 0.0009 Å
• c: 12.2796 ± 0.0008 Å
• α: 90°
• β: 107.688 ± 0.007°
• γ: 90°
• Cell volume: 1631.12 ± 0.18 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: 0.0242
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0553
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No