Information card for entry 1548725

Structure parameters

• Chemical name: 6
• Formula: C28 H53 Lu O3 Si2
• Calculated formula: C28 H53 Lu O3 Si2
• SMILES: [Lu]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[cH]5[c]64[c]3([cH]2[cH]15)C([C@H]1OC(O[C@@H]1C6(C)C)(C)C)(C)C
• Title of publication: Cationic half-sandwich rare-earth metal alkyl species catalyzed polymerization and copolymerization of aryl isocyanides possessing polar, bulky, or chiral substituents
• Authors of publication: Yan, Xinwen; Zhang, Shaowen; Peng, Deqian; Zhang, Pengfei; Zhi, Junge; Wu, Xiaolu; Wang, Lin; Dong, Yuping; Li, Xiaofang
• Journal of publication: Polymer Chemistry
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 984
• a: 13.3321 ± 0.0006 Å
• b: 15.5971 ± 0.0007 Å
• c: 16.0371 ± 0.0007 Å
• α: 90°
• β: 104.67 ± 0.001°
• γ: 90°
• Cell volume: 3226.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No