Information card for entry 4087661

Structure parameters

• Formula: C67 H81 Er N6
• Calculated formula: C67 H81 Er N6
• SMILES: c12cc3ccccc3n2[Er]23(N(C=[N]2c2c(cccc2C(C)C)C(C)C)c2c(cccc2C(C)C)C(C)C)([N](=C1)c1c(cccc1C(C)C)C(C)C)n1c(cc2ccccc12)C=[N]3c1c(cccc1C(C)C)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: 13.0375 ± 0.0009 Å
• b: 14.9016 ± 0.0011 Å
• c: 17.0671 ± 0.0012 Å
• α: 94.129 ± 0.001°
• β: 92.772 ± 0.001°
• γ: 91.533 ± 0.001°
• Cell volume: 3301.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No