Information card for entry 1545420

Structure parameters

• Formula: C31 H44 N O Sc Si2
• Calculated formula: C31 H44 N O Sc Si2
• SMILES: [Sc]1(C2(c3c(c4ccccc24)cccc3)Cc2cccc[n]12)(C[Si](C)(C)C)(C[Si](C)(C)C)[O]1CCCC1
• Title of publication: Sequence and Regularity Controlled Coordination Copolymerization of Butadiene and Styrene: Strategy and Mechanism
• Authors of publication: Lin, Fei; Wang, Meiyan; Pan, Yupeng; Tang, Tao; Cui, Dongmei; Liu, Bo
• Journal of publication: Macromolecules
• Year of publication: 2017
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 849
• a: 9.3221 ± 0.0008 Å
• b: 14.4831 ± 0.0012 Å
• c: 11.779 ± 0.001 Å
• α: 90°
• β: 99.289 ± 0.002°
• γ: 90°
• Cell volume: 1569.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No