Information card for entry 4073402

Structure parameters

• Formula: C42 H59 Lu N4 O Si
• Calculated formula: C42 H59 Lu N4 O Si
• SMILES: [Lu]12([O]3CCCC3)(n3cccc3C=[N]1c1c(cccc1C(C)C)C(C)C)(n1cccc1C=[N]2c1c(cccc1C(C)C)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: 10.3754 ± 0.0006 Å
• b: 19.2503 ± 0.0011 Å
• c: 20.9445 ± 0.0012 Å
• α: 88.342 ± 0.001°
• β: 89.659 ± 0.001°
• γ: 88.049 ± 0.001°
• Cell volume: 4179 ± 0.4 ų
• Cell temperature: 187 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.87
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No