Information card for entry 1568630

Structure parameters

• Formula: C30 H38 Cl2 N6 O8 Pd
• Calculated formula: C30 H38 Cl2 N6 O8 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: 17.1932 ± 0.0005 Å
• b: 11.4548 ± 0.0003 Å
• c: 8.6473 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1703.04 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 31
• Hermann-Mauguin space group symbol: P m n 21
• Hall space group symbol: P 2ac -2
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No