Information card for entry 4105073

Structure parameters

• Common name: CpSc(CH2SiMe3)2(thf)
• Formula: C17 H35 O Sc Si2
• Calculated formula: C17 H35 O Sc Si2
• SMILES: [Sc]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[cH]5[cH]1[cH]2[cH]3[cH]45
• 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: 10.3296 ± 0.0007 Å
• b: 19.3034 ± 0.0012 Å
• c: 21.659 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4318.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No