Information card for entry 4515676

Structure parameters

• Formula: C27 H39 N2 Sc Si2
• Calculated formula: C27 H39 N2 Sc Si2
• SMILES: [Sc]12345([c]67[c]4([c]41[c]2([c]56CCN1C=CN(C=31)C)cccc4)cccc7)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Development of Group 3 Catalysts for Alternating Copolymerization of Ethylene and Styrene Derivatives
• Authors of publication: Li, Shihui; Liu, Dongtao; Wang, Zichuan; Cui, Dongmei
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6086
• a: 16.7493 ± 0.0011 Å
• b: 17.9477 ± 0.0013 Å
• c: 9.7237 ± 0.0007 Å
• α: 90°
• β: 105.053 ± 0.001°
• γ: 90°
• Cell volume: 2822.8 ± 0.3 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 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: 0.0851
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No