Information card for entry 7716425

Structure parameters

• Formula: C22 H29 Br N4 Pd
• Calculated formula: C22 H29 Br 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
• Journal volume: 53
• Journal issue: 27
• Pages of publication: 11470 - 11480
• a: 8.7735 ± 0.0002 Å
• b: 8.7735 ± 0.0002 Å
• c: 27.538 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2119.72 ± 0.09 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0167
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0386
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No