Information card for entry 1568632

Structure parameters

• Formula: C28 H35 Cl N5 O4 Pd
• Calculated formula: C28 H35 Cl N5 O4 Pd
• Title of publication: C-H bond activation <i>via</i> concerted metalation-deprotonation at a palladium(iii) center.
• Authors of publication: Bouley, Bailey S.; Tang, Fengzhi; Bae, Dae Young; Mirica, Liviu M.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3800 - 3808
• a: 11.34 ± 0.001 Å
• b: 12.2808 ± 0.001 Å
• c: 20.326 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2830.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0508
• Weighted residual factors for all reflections included in the refinement: 0.0524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No