Information card for entry 4085182

Structure parameters

• Formula: C27.06 H43.17 O S Sc Si2
• Calculated formula: C27.058 H43.174 O S Sc Si2
• Title of publication: Synthesis of Heterocyclic-Fused Cyclopentadienyl Scandium Complexes and the Catalysis for Copolymerization of Ethylene and Dicyclopentadiene
• Authors of publication: Chen, Runhai; Yao, Changguang; Wang, Meiyan; Xie, Hongyan; Wu, Chunji; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 2
• Pages of publication: 455
• a: 10.0876 ± 0.0006 Å
• b: 16.3094 ± 0.001 Å
• c: 10.1794 ± 0.0006 Å
• α: 90°
• β: 114.794 ± 0.001°
• γ: 90°
• Cell volume: 1520.37 ± 0.16 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No