Information card for entry 7716426

Structure parameters

• Formula: C39 H40 B F10 N7 O6 Pd S2
• Calculated formula: C39 H40 B F10 N7 O6 Pd S2
• 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: 11.7271 ± 0.0004 Å
• b: 21.7582 ± 0.0007 Å
• c: 16.9612 ± 0.0006 Å
• α: 90°
• β: 94.11 ± 0.002°
• γ: 90°
• Cell volume: 4316.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No