Information card for entry 4087658

Structure parameters

• Formula: C84 H94 N8 Y2
• Calculated formula: C84 H94 N8 Y2
• SMILES: [Y]12345678(n9c(c[c]%10%11[c]%129[Y]9%13%14%15%16%10(N(Cc%10c[c]%176[c]5(n9%10)[cH]4[cH]8[cH]3[cH]7%17)c3c(C(C)C)cccc3C(C)C)([N](c3c(cccc3C(C)C)C(C)C)=Cc3n%13c4c(c3)cccc4)[cH]%12[cH]%14[cH]%15[cH]%11%16)CN1c1c(C(C)C)cccc1C(C)C)[N](c1c(cccc1C(C)C)C(C)C)=Cc1n2c2ccccc2c1
• 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: 13.7743 ± 0.001 Å
• b: 19.7953 ± 0.0015 Å
• c: 30.5 ± 0.002 Å
• α: 90°
• β: 90.439 ± 0.001°
• γ: 90°
• Cell volume: 8316.1 ± 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: 0.1573
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1057
• 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