Information card for entry 1554147

Structure parameters

• Formula: C28 H47 Lu O Si3
• Calculated formula: C28 H47 Lu O Si3
• SMILES: [Lu]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[c]5([Si](C)(C)C)[c]61cccc[c]26[c]13cccc[c]451
• Title of publication: 1,4-Selective Polymerization of 1,3-Cyclohexadiene and Copolymerization with Styrene by Cationic Half-Sandwich Fluorenyl Rare Earth Metal Alkyl Catalysts
• Authors of publication: Du, Gaixia; Long, Yingyun; Xue, Jiaping; Zhang, Shaowen; Dong, Yuping; Li, Xiaofang
• Journal of publication: Macromolecules
• Year of publication: 2015
• Journal volume: 48
• Journal issue: 6
• Pages of publication: 1627
• a: 10.4 ± 0.002 Å
• b: 15.6 ± 0.003 Å
• c: 20 ± 0.004 Å
• α: 90°
• β: 105 ± 0.03°
• γ: 90°
• Cell volume: 3134.2 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No