Information card for entry 4065724

Structure parameters

• Formula: C33 H55 N2 O Si2 Y
• Calculated formula: C33 H55 N2 O Si2 Y
• SMILES: [Y]1([O]2CCCC2)([N](=C(C=C(N1c1c(cccc1C)C)C)C)c1c(cccc1C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• 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: 9.8549 ± 0.0008 Å
• b: 22.1703 ± 0.0017 Å
• c: 17.7192 ± 0.0014 Å
• α: 90°
• β: 105.54 ± 0.001°
• γ: 90°
• Cell volume: 3729.9 ± 0.5 ų
• Cell temperature: 186.5 ± 0.2 K
• Ambient diffraction temperature: 186.5 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No