Information card for entry 1577296

Structure parameters

• Formula: C32 H46 F12 N7 P2 Pd
• Calculated formula: C32 H46 F12 N7 P2 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: 18.4894 ± 0.0004 Å
• b: 10.435 ± 0.0002 Å
• c: 20.2727 ± 0.0004 Å
• α: 90°
• β: 96.998 ± 0.001°
• γ: 90°
• Cell volume: 3882.21 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No