Information card for entry 7716647

Structure parameters

• Formula: C20 H11 F4 N3 O2 Pd
• Calculated formula: C20 H11 F4 N3 O2 Pd
• Title of publication: Synthesis and comparative study of (NHC_F)PdCl₂Py and (NHC_F)Ni(Cp)Cl complexes: investigation of the electronic properties of NHC ligands and complex characteristics.
• Authors of publication: Pankov, Roman O.; Tarabrin, Ignatii R.; Son, Alexandra G.; Minyaev, Mikhail E.; Prima, Darya O.; Ananikov, Valentine P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 30
• Pages of publication: 12503 - 12518
• a: 3.68882 ± 0.00007 Å
• b: 11.4296 ± 0.0002 Å
• c: 20.047 ± 0.0003 Å
• α: 88.7087 ± 0.0014°
• β: 84.9983 ± 0.0014°
• γ: 82.4843 ± 0.0017°
• Cell volume: 834.71 ± 0.03 ų
• Cell temperature: 100 ± 0.11 K
• Ambient diffraction temperature: 100 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0754
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No