Information card for entry 7710504

Structure parameters

• Formula: C15 H9 Cl F4 N2
• Calculated formula: C15 H9 Cl F4 N2
• SMILES: [Cl-].Fc1cc(n2c[n+](cc2)c2cc(F)c(F)cc2)ccc1F
• Title of publication: Synthesis and characterization of Pd/NHCF complexes with fluorinated aryl groups
• Authors of publication: Prima, Darya O.; Pankov, Roman O.; Kostyukovich, Alexander Yu.; Minyaev, Mikhail E.; Burykina, Julia V.; Ananikov, Valentine P.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 6.44484 ± 0.00008 Å
• b: 8.57651 ± 0.00016 Å
• c: 12.8743 ± 0.0002 Å
• α: 96.2904 ± 0.0015°
• β: 100.246 ± 0.0013°
• γ: 94.1463 ± 0.0012°
• Cell volume: 692.982 ± 0.019 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0521
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1427
• 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