Information card for entry 7032658

Structure parameters

• Formula: C30.63 H37.5 N3 O Pd
• Calculated formula: C30.625 H36 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: 16.518 ± 0.003 Å
• b: 13.5 ± 0.003 Å
• c: 26.535 ± 0.005 Å
• α: 90°
• β: 101.11 ± 0.03°
• γ: 90°
• Cell volume: 5806 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No