Information card for entry 7032656

Structure parameters

• Formula: C37 H42 Cl3 N3 O Pd
• Calculated formula: C37 H42 Cl3 N3 O Pd
• Title of publication: Synthesis, structures, and norbornene polymerization behavior of C(sp(3)), N-chelated palladacycles bearing o-aryloxide-N-heterocyclic carbene ligands.
• Authors of publication: Dang, Liang; Guo, Jing; Song, Haibin; Liu, Binyuan; Wang, Baiquan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 45
• Pages of publication: 17177 - 17183
• a: 43.6 ± 0.05 Å
• b: 8.783 ± 0.009 Å
• c: 18.47 ± 0.02 Å
• α: 90°
• β: 103.27 ± 0.02°
• γ: 90°
• Cell volume: 6884 ± 13 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 6
• 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: 0.0726
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No