Information card for entry 1577298

Structure parameters

• Formula: C30 H44 B2 F8 N6 Pd
• Calculated formula: C30 H44 B2 F8 N6 Pd
• Title of publication: Aerobic Base-free C-H Bond Activation at a Pd Center in Aqueous Conditions
• Authors of publication: Bae, Dae Young; Ruhs, Nicholas P.; Mirica, Liviu M.
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 7.729 ± 0.0003 Å
• b: 9.687 ± 0.0004 Å
• c: 22.8572 ± 0.0009 Å
• α: 85.008 ± 0.001°
• β: 84.302 ± 0.001°
• γ: 86.384 ± 0.001°
• Cell volume: 1693.86 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0309
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No