Information card for entry 4087660

Structure parameters

• Formula: C67 H81 N6 Y
• Calculated formula: C67 H81 N6 Y
• SMILES: [Y]123(n4c5ccccc5cc4C=[N]2c2c(cccc2C(C)C)C(C)C)([N](c2c(cccc2C(C)C)C(C)C)=Cc2n3c3ccccc3c2)[N](c2c(C(C)C)cccc2C(C)C)=CN1c1c(C(C)C)cccc1C(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: 13.171 ± 0.003 Å
• b: 19.879 ± 0.004 Å
• c: 25.005 ± 0.005 Å
• α: 90°
• β: 90.849 ± 0.004°
• γ: 90°
• Cell volume: 6546 ± 2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1339
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1582
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No