Information card for entry 4083400

Structure parameters

• Chemical name: N-(2-((dimetrylamino)dimetrylsilyl)-1-phenylethyl) -2,6-diisopropylbenzenamino 1-azaallyl zirconium chlorides
• Formula: C24 H35 Cl3 N2 Si Zr
• Calculated formula: C24 H35 Cl3 N2 Si Zr
• SMILES: [Zr]123(Cl)(Cl)(Cl)N(c4c(cccc4C(C)C)C(C)C)[CH]3(=[CH]2[Si]([N]1(C)C)(C)C)c1ccccc1
• 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: 9.2515 ± 0.0015 Å
• b: 15.407 ± 0.003 Å
• c: 19.695 ± 0.003 Å
• α: 90°
• β: 91.581 ± 0.019°
• γ: 90°
• Cell volume: 2806.2 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0623
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No