Information card for entry 4519228

Structure parameters

• Formula: C26 H40 N Sc Si2
• Calculated formula: C26 H40 N Sc Si2
• Title of publication: Ethylene-Triggered Regioselectivity Switch of Dimethylbutadiene in Their Copolymerization: Formation of “Plastic” Rubber and Mechanism
• Authors of publication: Huang, Lixian; Liu, Zhaohe; Zhang, Yixin; Wu, Chunji; Cui, Dongmei
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Pages of publication: 953 - 962
• a: 11.9 ± 0.0007 Å
• b: 14.2646 ± 0.0009 Å
• c: 16.7857 ± 0.001 Å
• α: 90°
• β: 104.008 ± 0.001°
• γ: 90°
• Cell volume: 2764.6 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0647
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No