Information card for entry 4085181

Structure parameters

• Formula: C26 H42 N O Sc Si2
• Calculated formula: C26 H42 N O Sc Si2
• SMILES: [Sc]1234([O]5CCCC5)(C[Si](C)(C)C)(C[Si](C)(C)C)[cH]5[c]1([cH]2[c]13[c]45n(cc1)c1ccccc1)C
• 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: 23.532 ± 0.002 Å
• b: 15.3966 ± 0.0015 Å
• c: 19.1942 ± 0.0018 Å
• α: 90°
• β: 124.436 ± 0.002°
• γ: 90°
• Cell volume: 5735.6 ± 0.9 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0628
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No