Information card for entry 7015642

Structure parameters

• Formula: C23 H35 Cl2 N Zr
• Calculated formula: C23 H35 Cl2 N Zr
• SMILES: [Zr]1234(Cl)(Cl)(N(C)c5c(cccc5C(C)C)C(C)C)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Half-zirconocene anilide complexes: synthesis, characterization and catalytic properties for ethylene polymerization and copolymerization with 1-hexene.
• Authors of publication: Liu, Kefeng; Wu, Qiaolin; Gao, Wei; Mu, Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4715 - 4721
• a: 9.2297 ± 0.0003 Å
• b: 12.1798 ± 0.0004 Å
• c: 21.4452 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2410.78 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No