Information card for entry 4072200

Structure parameters

• Common name: EtNPNSc(CH2SiMe3)2(THF)
• Formula: C50.5 H68 N2 O P Sc Si2
• Calculated formula: C49.5 H64 N2 O P Sc Si2
• Title of publication: Thiophene-NPN Ligand Supported Rare-Earth Metal Bis(alkyl) Complexes. Synthesis and Catalysis toward Highlytrans-1,4 Selective Polymerization of Butadiene
• Authors of publication: Wang, Dun; Li, Shihui; Liu, Xinli; Gao, Wei; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6531
• a: 13.1455 ± 0.0007 Å
• b: 25.6245 ± 0.0014 Å
• c: 14.6598 ± 0.0008 Å
• α: 90°
• β: 91.278 ± 0.001°
• γ: 90°
• Cell volume: 4936.9 ± 0.5 ų
• Cell temperature: 185 ± 2 K
• Ambient diffraction temperature: 185 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No