Information card for entry 7016055

Structure parameters

• Formula: C50 H65 N4 Nd O Si
• Calculated formula: C50 H65 N4 Nd O Si
• SMILES: [Nd]12([O]3CCCC3)([n]3cccc4cccc(N1c1c(cccc1C(C)C)C(C)C)c34)([n]1cccc3cccc(N2c2c(cccc2C(C)C)C(C)C)c13)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: 11.0181 ± 0.0006 Å
• b: 11.6008 ± 0.0007 Å
• c: 18.1909 ± 0.001 Å
• α: 89.259 ± 0.001°
• β: 89.783 ± 0.001°
• γ: 84.431 ± 0.001°
• Cell volume: 2314 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No