Information card for entry 1569227

Structure parameters

• Formula: C40 H82 N4 O6 Pd
• Calculated formula: C40 H82 N4 O6 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: 18.3972 ± 0.0005 Å
• b: 12.8302 ± 0.0004 Å
• c: 19.2798 ± 0.0005 Å
• α: 90°
• β: 92.492 ± 0.002°
• γ: 90°
• Cell volume: 4546.5 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No