Information card for entry 7016052

Structure parameters

• Formula: C33 H53 N2 O Si2 Y
• Calculated formula: C33 H53 N2 O Si2 Y
• SMILES: [Y]1([n]2cccc3cccc(N1c1c(cccc1C(C)C)C(C)C)c23)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Highly trans-1,4 selective (co-)polymerization of butadiene and isoprene with quinolyl anilido rare earth metal bis(alkyl) precursors.
• Authors of publication: Liu, Dongtao; Cui, Dongmei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 30
• Pages of publication: 7755 - 7761
• a: 11.4555 ± 0.0012 Å
• b: 16.826 ± 0.0018 Å
• c: 18.987 ± 0.002 Å
• α: 90°
• β: 99.752 ± 0.002°
• γ: 90°
• Cell volume: 3606.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1159
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1655
• Weighted residual factors for all reflections included in the refinement: 0.1898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No