Information card for entry 4087657

Structure parameters

• Formula: C63 H69 N6 Sm
• Calculated formula: C63 H69 N6 Sm
• SMILES: [Sm]123(n4c5c(cc4C=[N]1c1c(C(C)C)cccc1C(C)C)cccc5)([N](c1c(C(C)C)cccc1C(C)C)=Cc1n2c2ccccc2c1)n1c(C=[N]3c2c(C(C)C)cccc2C(C)C)cc2c1cccc2
• 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: 16.1585 ± 0.0009 Å
• b: 17.4664 ± 0.001 Å
• c: 19.5796 ± 0.0011 Å
• α: 90°
• β: 90.064 ± 0.001°
• γ: 90°
• Cell volume: 5526 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No