Information card for entry 4080357

Structure parameters

• Formula: C25 H40 N Sc Si2
• Calculated formula: C25 H40 N Sc Si2
• SMILES: [Sc]12345([N](CC[c]61[c]12[c]3(cccc1)[c]14cccc[c]561)(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Aluminum Effects in the Syndiospecific Copolymerization of Styrene with Ethylene by Cationic Fluorenyl Scandium Alkyl Catalysts
• Authors of publication: Li, Xiaofang; Wang, Xiaoying; Tong, Xin; Zhang, Hongxia; Chen, Yuanyuan; Liu, Ying; Liu, Hui; Wang, Xiaojie; Nishiura, Masayoshi; He, Huan; Lin, Zhenguo; Zhang, Shaowen; Hou, Zhaomin
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1445
• a: 9.9554 ± 0.0005 Å
• b: 14.8253 ± 0.0007 Å
• c: 17.849 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2634.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No