Information card for entry 1569225

Structure parameters

• Formula: C14 H10 F5 N2 O2 Pd
• Calculated formula: C14 H11 F5 N2 O2 Pd
• Title of publication: Palladium mono-<i>N</i>-protected amino acid complexes: experimental validation of the ligand cooperation model in C-H activation.
• Authors of publication: Fernández-Moyano, Sara; Salamanca, Vanesa; Albéniz, Ana C
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 6688 - 6694
• a: 10.093 ± 0.0007 Å
• b: 11.7688 ± 0.0008 Å
• c: 14.7684 ± 0.0009 Å
• α: 107.49 ± 0.006°
• β: 107.025 ± 0.006°
• γ: 100.307 ± 0.006°
• Cell volume: 1529.8 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No