Information card for entry 4343065

Structure parameters

• Formula: C48 H61 N4 Si Y
• Calculated formula: C48 H61 N4 Si Y
• SMILES: C([Si](C)(C)C)[Y]12(c3c(c4ccccc4n3C)C=[N]1c1c(cccc1C(C)C)C(C)C)c1c(c3ccccc3n1C)C=[N]2c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and Characterization of Organo-Rare-Earth Metal Monoalkyl Complexes Supported by Carbon σ-Bonded Indolyl Ligands: High Specific Isoprene 1,4-Cis Polymerization Catalysts.
• Authors of publication: Guo, Liping; Zhu, Xiancui; Zhang, Guangchao; Wei, Yun; Ning, Lixin; Zhou, Shuangliu; Feng, Zhijun; Wang, Shaowu; Mu, Xiaolong; Chen, Jun; Jiang, Yuzhe
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5725 - 5731
• a: 11.9799 ± 0.0011 Å
• b: 19.0365 ± 0.0017 Å
• c: 20.2988 ± 0.0018 Å
• α: 90°
• β: 93.356 ± 0.001°
• γ: 90°
• Cell volume: 4621.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1488
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No