Information card for entry 4087659

Structure parameters

• Formula: C84 H94 Er2 N8
• Calculated formula: C84 H94 Er2 N8
• SMILES: [Er]12345678(n9[c]%10%11[c]%12([Er]%13%14%15%16%17%10(N(c%10c(cccc%10C(C)C)C(C)C)Cc%10c[c]%186[c]1(n%13%10)[cH]3[cH]8[cH]7[cH]4%18)([cH]([cH]%16[cH]%11%14)[cH]%12%17)[N](=Cc1n%15c3c(c1)cccc3)c1c(C(C)C)cccc1C(C)C)cc9CN2c1c(C(C)C)cccc1C(C)C)[N](c1c(C(C)C)cccc1C(C)C)=Cc1n5c2c(cccc2)c1
• 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: 13.7561 ± 0.001 Å
• b: 19.8131 ± 0.0014 Å
• c: 30.448 ± 0.002 Å
• α: 90°
• β: 90.292 ± 0.001°
• γ: 90°
• Cell volume: 8298.5 ± 1 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: 0.0956
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No