Information card for entry 7057434

Structure parameters

• Formula: C36 H38.5 Cl4 N6 O0.25 Pd2
• Calculated formula: C36 H38.5 Cl4 N6 O0.25 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: 19.2313 ± 0.0004 Å
• b: 9.3453 ± 0.00016 Å
• c: 21.9179 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3939.13 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P c c a
• Hall space group symbol: -P 2a 2ac
• Residual factor for all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0745
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No