Information card for entry 7225557

Structure parameters

• Formula: C30 H41 Cl2 O2 P Zr
• Calculated formula: C30 H41 Cl2 O2 P Zr
• SMILES: [Zr]12345([P](c6ccccc6)(c6c(O1)c(C(C)(C)C)cc(C(C)(C)C)c6)C)(Cl)(Cl)([O]1CCCC1)[cH]1[cH]5[cH]3[cH]2[cH]41
• Title of publication: Efficient copolymerization of ethylene with norbornene and its derivatives using half-metallocene zirconium(IV) catalysts
• Authors of publication: Li, Yulian; Yang, Jixing; Wang, Bin; Li, Yuesheng
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 20.3736 ± 0.0016 Å
• b: 21.5156 ± 0.0016 Å
• c: 13.6999 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6005.4 ± 0.8 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No