Information card for entry 7061036

Structure parameters

• Formula: C27 H27 Cl2 N3 Pd
• Calculated formula: C27 H27 Cl2 N3 Pd
• Title of publication: N-Heterocyclic carbene-palladium-PEPPSI complexes and their catalytic activity in the direct C–H bond activation of heteroarene derivatives with aryl bromides: synthesis, and antimicrobial and antioxidant activities
• Authors of publication: Hamdi, N.; Slimani, I.; Mansour, L.; Alresheedi, Faisal; Gürbüz, N.; Özdemir, I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 21248 - 21262
• a: 9.253 ± 0.0004 Å
• b: 12.484 ± 0.0006 Å
• c: 21.9892 ± 0.0009 Å
• α: 90°
• β: 93.781 ± 0.003°
• γ: 90°
• Cell volume: 2534.54 ± 0.19 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0721
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No