Information card for entry 4085744

Structure parameters

• Formula: C34.5 H38 Cl3 N3 O3 Pd S
• Calculated formula: C34.5 H38 Cl3 N3 O3 Pd S
• Title of publication: Synthesis, Structures, and Norbornene Polymerization Behavior of N-Heterocyclic Carbene-Sulfonate-Ligated Palladacycles
• Authors of publication: Li, Minliang; Song, Haibin; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 10
• Pages of publication: 1969
• a: 8.7189 ± 0.0017 Å
• b: 12.453 ± 0.003 Å
• c: 17.192 ± 0.003 Å
• α: 94.64 ± 0.03°
• β: 103.57 ± 0.03°
• γ: 107.34 ± 0.03°
• Cell volume: 1709 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0933
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No