Information card for entry 7716424

Structure parameters

• Formula: C32 H37 B F4 N6 Pd
• Calculated formula: C32 H37 B F4 N6 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: 16.376 ± 0.0015 Å
• b: 12.2333 ± 0.0011 Å
• c: 15.8612 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3177.5 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0464
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No