Information card for entry 7024301

Structure parameters

• Formula: C20 H20 F5 N Si2 Zr
• Calculated formula: C20 H20 F5 N Si2 Zr
• SMILES: [Zr]123456789%10(N([Si]([c]%112[cH]3[cH]8[cH]%10[cH]7%11)(C)C)[Si]([c]24[cH]1[cH]9[cH]5[cH]62)(C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: The amido-bridged zirconocene's reactivity and catalytic behavior for ethylene polymerization.
• Authors of publication: Wang, Cun; van Meurs, Martin; Stubbs, Ludger P.; Tay, Boon-Ying; Tan, Xiang-Jie; Aitipamula, Srinivasulu; Chacko, Jacob; Luo, He-Kuan; Wong, Pui-Kwan; Ye, Suming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 807 - 814
• a: 11.491 ± 0.002 Å
• b: 10.952 ± 0.002 Å
• c: 17.244 ± 0.003 Å
• α: 90°
• β: 100.2 ± 0.03°
• γ: 90°
• Cell volume: 2135.8 ± 0.7 ų
• Cell temperature: 180.15 K
• Ambient diffraction temperature: 180.15 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: 0.0625
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.13
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No