Information card for entry 4073400

Structure parameters

• Formula: C29 H51 Lu N2 O2 Si2
• Calculated formula: C29 H51 Lu N2 O2 Si2
• SMILES: [Lu]1([N](c2c(cccc2C)C)=Cc2n1ccc2)([O]1CCCC1)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Pyrrolide-Supported Lanthanide Alkyl Complexes. Influence of Ligands on Molecular Structure and Catalytic Activity toward Isoprene Polymerization
• Authors of publication: Yang, Yi; Liu, Bo; Lv, Kui; Gao, Wei; Cui, Dongmei; Chen, Xuesi; Jing, Xiabin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4575
• a: 9.4569 ± 0.0006 Å
• b: 16.4263 ± 0.001 Å
• c: 21.202 ± 0.0013 Å
• α: 90°
• β: 92.331 ± 0.001°
• γ: 90°
• Cell volume: 3290.8 ± 0.4 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.0346
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No