Information card for entry 7040452

Structure parameters

• Formula: C76 H115 N8 O5 Si Y3
• Calculated formula: C76 H115 N8 O5 Si Y3
• SMILES: c1c2c3ccccc3n1[Y](C[Si](C)(C)C)(N(Cc1cn(c3c1cccc3)[Y]1(N(C2)C(C)(C)C)(n2cc(c3ccccc23)CN(C(C)(C)C)[Y](N(Cc2cn1c1c2cccc1)C(C)(C)C)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1)C(C)(C)C)([O]1CCCC1)[O]1CCCC1
• Title of publication: Di and trinuclear rare-earth metal complexes supported by 3-amido appended indolyl ligands: synthesis, characterization and catalytic activity towards isoprene 1,4-cis polymerization.
• Authors of publication: Zhang, Guangchao; Deng, Baojia; Wang, Shaowu; Wei, Yun; Zhou, Shuangliu; Zhu, Xiancui; Huang, Zeming; Mu, Xiaolong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15445
• a: 15.889 ± 0.0016 Å
• b: 23.9167 ± 0.0015 Å
• c: 24.6825 ± 0.0016 Å
• α: 90°
• β: 95.663 ± 0.002°
• γ: 90°
• Cell volume: 9333.9 ± 1.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No