Information card for entry 7055876

Structure parameters

• Formula: C40 H56 Cl14 N6 Si2 Zr2
• Calculated formula: C40 H56 Cl14 N6 Si2 Zr2
• SMILES: C(Cl)Cl.C(Cl)Cl.Cl[Zr]12(Cl)(Cl)[NH](c3ccccc3)CCN(C(=[N]2[Zr]2([NH](c3ccccc3)CCN(C(=[N]12)c1ccccc1)[Si](C)(C)C)(Cl)(Cl)Cl)c1ccccc1)[Si](C)(C)C.C(Cl)Cl.C(Cl)Cl
• Title of publication: Zirconium complexes based on an ethylene linked amidinate‒amido ligand: synthesis, characterization and ethylene polymerization
• Authors of publication: Li, Wei; Bai, Sheng-Di; Su, Feng; Yuan, Shi-Fang; Duan, Xin-E; Liu, Dian-Sheng
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 661
• a: 11.4347 ± 0.0004 Å
• b: 14.9823 ± 0.0005 Å
• c: 16.8734 ± 0.0006 Å
• α: 90°
• β: 96.583 ± 0.001°
• γ: 90°
• Cell volume: 2871.66 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0422
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No