Information card for entry 4105078

Structure parameters

• Common name: (CpC6H4OMe)Sc(CH2SiMe3)2(thf)
• Formula: C24 H41 O Sc Si2
• Calculated formula: C24 H41 O Sc Si2
• SMILES: [Sc]12345([O](c6c([c]71[c]2([c]3([c]4([c]57C)C)C)C)cccc6)C)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Alternating and Random Copolymerization of Isoprene and Ethylene Catalyzed by Cationic Half-Sandwich Scandium Alkyls
• Authors of publication: Xiaofang Li; Masayoshi Nishiura; Lihong Hu; Kyouichi Mori; Zhaomin Hou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 13870 - 13882
• a: 10.8504 ± 0.0016 Å
• b: 11.2243 ± 0.0016 Å
• c: 12.3328 ± 0.0018 Å
• α: 66.873 ± 0.002°
• β: 76.458 ± 0.002°
• γ: 80.993 ± 0.002°
• Cell volume: 1339.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No