Information card for entry 4083399

Structure parameters

• Chemical name: Bis(N-(2-((dimetrylamino)dimetrylsilyl)-1-phenylethyl) -2,6-diisopropylbenzenamino) 1-azaallyl zirconium chlorides
• Formula: C48 H70 Cl2 N4 Si2 Zr
• Calculated formula: C48 H70 Cl2 N4 Si2 Zr
• SMILES: [Zr]1234(Cl)(Cl)(N(c5c(cccc5C(C)C)C(C)C)[C]1(c1ccccc1)=[CH]4[Si](N(C)C)(C)C)N(c1c(cccc1C(C)C)C(C)C)[C]2(c1ccccc1)=[CH]3[Si](N(C)C)(C)C
• Title of publication: (η3-Azaallyl)zirconium Chlorides: Synthesis, Characterization, and Ethylene (Co-)polymerization Activity
• Authors of publication: Yuan, Shifang; Bai, Shengdi; Liu, Diansheng; Sun, Wen-Hua
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2132
• a: 13.445 ± 0.0019 Å
• b: 14.289 ± 0.002 Å
• c: 16.849 ± 0.003 Å
• α: 64.928 ± 0.002°
• β: 87.587 ± 0.002°
• γ: 81.358 ± 0.002°
• Cell volume: 2897.8 ± 0.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.091
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.2214
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.125
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No