Information card for entry 7055875

Structure parameters

• Formula: C34 H64 Li4 N4 O3 Si2
• Calculated formula: C34 H64 Li4 N4 O3 Si2
• SMILES: [Si]([N]12CC[N]34(c5ccccc5)[Li]([O](CC)CC)N5(c6ccccc6)(CC[N]([Si](C)(C)C)([Li]3[O](CC)CC)[Li]245)[Li]1[O](CC)CC)(C)(C)C
• 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: 12.156 ± 0.003 Å
• b: 13.583 ± 0.003 Å
• c: 13.801 ± 0.003 Å
• α: 89.852 ± 0.005°
• β: 77.833 ± 0.004°
• γ: 77.133 ± 0.004°
• Cell volume: 2169.3 ± 0.9 ų
• Cell temperature: 194 ± 2 K
• Ambient diffraction temperature: 194 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2153
• Residual factor for significantly intense reflections: 0.131
• Weighted residual factors for significantly intense reflections: 0.3824
• Weighted residual factors for all reflections included in the refinement: 0.4519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No