Information card for entry 7016054

Structure parameters

• Formula: C31 H49 Lu N2 O Si2
• Calculated formula: C31 H49 Lu N2 O Si2
• SMILES: c1ccc2cccc3c2[n]1[Lu](C[Si](C)(C)C)(C[Si](C)(C)C)(N3c1c(cccc1CC)CC)[O]1CCCC1
• 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: 9.7731 ± 0.0005 Å
• b: 17.2591 ± 0.0009 Å
• c: 20.0423 ± 0.001 Å
• α: 90°
• β: 90.209 ± 0.001°
• γ: 90°
• Cell volume: 3380.6 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1738
• Weighted residual factors for all reflections included in the refinement: 0.1865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No