Information card for entry 7057436

Structure parameters

• Formula: C39 H44 Cl10 N6 Pd2
• Calculated formula: C39 H44 Cl10 N6 Pd2
• Title of publication: Dimeric palladium 1,2,3-triazol-5-ylidene complexes ‒ synthesis, structure, reactivity and catalytic properties in Suzuki coupling
• Authors of publication: Lorkowski, Jan; Żak, Patrycja; Kubicki, Maciej; Pietraszuk, Cezary; Jędrzkiewicz, Dawid; Ejfler, Jolanta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 10134
• a: 11.7859 ± 0.0014 Å
• b: 17.1438 ± 0.0016 Å
• c: 23.6237 ± 0.0017 Å
• α: 90°
• β: 90.536 ± 0.003°
• γ: 90°
• Cell volume: 4773.1 ± 0.8 ų
• Cell temperature: 220 ± 1 K
• Ambient diffraction temperature: 220 ± 1 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: 0.1898
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No