Information card for entry 7716427

Structure parameters

• Formula: C22 H29 Cl3 N4 Pd
• Calculated formula: C22 H29 Cl3 N4 Pd
• Title of publication: An N-heterocyclic carbene-based pincer system of palladium and its versatile reactivity under oxidizing conditions.
• Authors of publication: Li, Haobin; Zhang, Bo; Feng, Rui; Guo, Shuai
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• a: 29.2798 ± 0.0006 Å
• b: 29.2798 ± 0.0006 Å
• c: 16.1106 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11961.3 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No