Information card for entry 4105075

Structure parameters

• Common name: (C5Me4H)Sc(CH2SiMe3)(thf)
• Formula: C21 H43 O Sc Si2
• Calculated formula: C21 H43 O Sc Si2
• SMILES: [Sc]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[cH]5[c]1([c]2([c]3([c]45C)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: 10.6883 ± 0.0019 Å
• b: 10.871 ± 0.002 Å
• c: 11.368 ± 0.002 Å
• α: 87.149 ± 0.002°
• β: 75.32 ± 0.002°
• γ: 89.132 ± 0.002°
• Cell volume: 1276.2 ± 0.4 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: 0.0689
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1671
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No