Information card for entry 7055873

Structure parameters

• Formula: C36 H46 N6 Si2 Zr
• Calculated formula: C36 H46 N6 Si2 Zr
• SMILES: [Zr]1234(N(c5ccccc5)CC[N]1=C(N2[Si](C)(C)C)c1ccccc1)N(c1ccccc1)CC[N]3=C(N4[Si](C)(C)C)c1ccccc1
• 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: 34.8268 ± 0.0012 Å
• b: 9.1327 ± 0.0003 Å
• c: 24.1978 ± 0.0009 Å
• α: 90°
• β: 107.572 ± 0.001°
• γ: 90°
• Cell volume: 7337.3 ± 0.4 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No