Information card for entry 7716644

Structure parameters

• Formula: C20 H13 Cl F4 N2 Ni
• Calculated formula: C20 H13 Cl F4 N2 Ni
• 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: 7.9548 ± 0.00007 Å
• b: 17.60556 ± 0.00013 Å
• c: 13.33453 ± 0.0001 Å
• α: 90°
• β: 106.804 ± 0.0009°
• γ: 90°
• Cell volume: 1787.74 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0246
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No