Information card for entry 7032657

Structure parameters

• Formula: C33 H35 N3 O Pd
• Calculated formula: C33 H35 N3 O Pd
• SMILES: [Pd]12(=C3N(C=CN3c3cc(cc(c3O1)C(C)(C)C)C(C)(C)C)c1ccccc1)[n]1cccc3cccc(C2)c13
• 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: 15.043 ± 0.004 Å
• b: 9.959 ± 0.003 Å
• c: 18.77 ± 0.005 Å
• α: 90°
• β: 94.82 ± 0.004°
• γ: 90°
• Cell volume: 2802.1 ± 1.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0867
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No