Information card for entry 4063860

Structure parameters

• Formula: C29 H41 N3 O Pd
• Calculated formula: C29 H41 N3 O Pd
• SMILES: [Pd]12(=C3N(C=CN3C(C)C)c3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)[N](Cc1c2cccc1)(C)C
• Title of publication: Synthesis, Structures, and Norbornene Polymerization Behavior of Aryloxide-N-Heterocyclic Carbene Ligated Palladacycles
• Authors of publication: Kong, Yong; Wen, Lifang; Song, Haibin; Xu, Shansheng; Yang, Min; Liu, Binyuan; Wang, Baiquan
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 1
• Pages of publication: 153
• a: 10.598 ± 0.002 Å
• b: 13.524 ± 0.003 Å
• c: 19.771 ± 0.004 Å
• α: 76.99 ± 0.03°
• β: 87.58 ± 0.03°
• γ: 88.28 ± 0.03°
• Cell volume: 2757.9 ± 1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No