Information card for entry 4065723

Structure parameters

• Formula: C29 H41 Cl2 N2 O2 Si0 Y
• Calculated formula: C29 H41 Cl2 N2 O2 Y
• SMILES: [Y]1(Cl)([O]2CCCC2)([N](=C(C=C(N1c1c(C)cccc1C)C)C)c1c(cccc1C)C)(Cl)[O]1CCCC1
• Title of publication: β-Diketiminato Rare-Earth Metal Complexes. Structures, Catalysis, and Active Species for Highlycis-1,4-Selective Polymerization of Isoprene
• Authors of publication: Li, Danfeng; Li, Shihui; Cui, Dongmei; Zhang, Xuequan
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 2186
• a: 18.9721 ± 0.0012 Å
• b: 14.9681 ± 0.0009 Å
• c: 21.0475 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5977 ± 0.6 ų
• Cell temperature: 186.5 ± 0.2 K
• Ambient diffraction temperature: 186.5 ± 0.2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0843
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No