Information card for entry 7716428

Structure parameters

• Formula: C28 H39 B2 F8 N7 O Pd
• Calculated formula: C28 H39 B2 F8 N7 O 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: 17.7077 ± 0.0007 Å
• b: 19.204 ± 0.0007 Å
• c: 20.5693 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6994.8 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• 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: 0.0585
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No