Information card for entry 7716482

Structure parameters

• Formula: C66 H69 F15 N6 Pd3
• Calculated formula: C66 H62 F15 N6 Pd3
• 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: 10.6657 ± 0.0012 Å
• b: 15.3472 ± 0.0017 Å
• c: 20.4601 ± 0.002 Å
• α: 79.147 ± 0.001°
• β: 88.954 ± 0.001°
• γ: 76.402 ± 0.001°
• Cell volume: 3195.8 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.049
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.338
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No