Information card for entry 4064993

Structure parameters

• Formula: C50 H44 B F15 N3 O3 Pd S
• Calculated formula: C50 H44 B F15 N3 O3 Pd S
• Title of publication: Synthesis,cis/transIsomerization, and Reactivity of Palladium Alkyl Complexes That Contain a Chelating N-Heterocyclic-Carbene Sulfonate Ligand
• Authors of publication: Zhou, Xiaoyuan; Jordan, Richard F.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 17
• Pages of publication: 4632
• a: 11.965 ± 0.003 Å
• b: 13.617 ± 0.003 Å
• c: 16.465 ± 0.004 Å
• α: 112.533 ± 0.004°
• β: 92.003 ± 0.004°
• γ: 101.246 ± 0.004°
• Cell volume: 2412.4 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.098
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No