Information card for entry 1555035

Structure parameters

• Formula: C88 H73 Cl10 N3 Pd
• Calculated formula: C88 H73 Cl10 N3 Pd
• Title of publication: Rigid hindered N-heterocyclic carbene palladium precatalysts: synthesis, characterization and catalytic amination
• Authors of publication: Zhang, Fei-Yi; Lan, Xiao-Bing; Xu, Chang; Yao, Hua-Gang; Li, Tian; Liu, Feng-Shou
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 3292
• a: 17.9223 ± 0.0005 Å
• b: 20.5932 ± 0.0006 Å
• c: 21.0729 ± 0.0007 Å
• α: 90°
• β: 100.834 ± 0.003°
• γ: 90°
• Cell volume: 7638.9 ± 0.4 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2099
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No