Information card for entry 7710507

Structure parameters

• Formula: C20 H17 Cl2 F2 N3 Pd
• Calculated formula: C20 H17 Cl2 F2 N3 Pd
• 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: 6.9092 ± 0.0003 Å
• b: 14.7924 ± 0.0006 Å
• c: 9.9257 ± 0.0006 Å
• α: 90°
• β: 96.106 ± 0.005°
• γ: 90°
• Cell volume: 1008.69 ± 0.09 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No