Information card for entry 7716483

Structure parameters

• Formula: C22 H23 F5 N2 Pd
• Calculated formula: C22 H16 F5 N2 Pd
• Title of publication: Mechanistic study on the reductive elimination of (aryl)(fluoroaryl)palladium complexes: a key step in regiospecific dehydrogenative cross-coupling.
• Authors of publication: Iida, Tomoki; Sato, Ryota; Yoshigoe, Yusuke; Kanbara, Takaki; Kuwabara, Junpei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 32
• Pages of publication: 13340 - 13347
• a: 9.3955 ± 0.0019 Å
• b: 14.564 ± 0.003 Å
• c: 16.547 ± 0.004 Å
• α: 90°
• β: 106.037 ± 0.003°
• γ: 90°
• Cell volume: 2176.1 ± 0.8 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No