Information card for entry 4087652

Structure parameters

• Formula: C50 H65 N4 O Si Y
• Calculated formula: C50 H65 N4 O Si Y
• SMILES: c12n3[Y]4([O]5CCCC5)([N](=Cc3cc2cccc1)c1c(cccc1C(C)C)C(C)C)(n1c2ccccc2cc1C=[N]4c1c(cccc1C(C)C)C(C)C)C[Si](C)(C)C
• Title of publication: Synthesis and Reactivity of Rare-Earth-Metal Monoalkyl Complexes Supported by Bidentate Indolyl Ligands and Their High Performance in Isoprene 1,4-cis Polymerization
• Authors of publication: Zhang, Guangchao; Wang, Shaowu; Zhou, Shuangliu; Wei, Yun; Guo, Liping; Zhu, Xiancui; Zhang, Lijun; Gu, Xiaoxia; Mu, Xiaolong
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 4251
• a: 13.1847 ± 0.0012 Å
• b: 12.6343 ± 0.0011 Å
• c: 32.543 ± 0.003 Å
• α: 90°
• β: 90.657 ± 0.001°
• γ: 90°
• Cell volume: 5420.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1247
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No