Information card for entry 7015644

Structure parameters

• Formula: C28 H39 Cl N2 Zr
• Calculated formula: C28 H39 Cl N2 Zr
• SMILES: [Zr]1234(Cl)(N(C)c5c(cccc5C)C)(N(C)c5c(cccc5C)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: 8.4521 ± 0.0008 Å
• b: 11.6652 ± 0.0011 Å
• c: 14.8715 ± 0.0014 Å
• α: 85.017 ± 0.002°
• β: 75.515 ± 0.002°
• γ: 73.171 ± 0.002°
• Cell volume: 1358.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No