Information card for entry 1544903

Structure parameters

• Formula: C29 H31 N3 O3 Pd
• Calculated formula: C29 H31 N3 O3 Pd
• SMILES: [Pd]12([N]3=C(c4c(N2c2c(C5=[N]1[C@@H](C(C)C)CO5)cccc2)cccc4)OC[C@@H]3C(C)C)C.O1CCCC1
• Title of publication: A highly active chiral (S,S)-bis(oxazoline) Pd(ii) alkyl complex/activator catalytic system for vinyl polymerization of norbornene in air and water
• Authors of publication: Huang, Yingda; He, Jianyun; Liu, Zhanxiong; Cai, Guilong; Zhang, Shaowen; Li, Xiaofang
• Journal of publication: Polym. Chem.
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 1217
• a: 9.1556 ± 0.0003 Å
• b: 9.1556 ± 0.0003 Å
• c: 66.051 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5536.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1193
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No