Information card for entry 4072197

Structure parameters

• Common name: EtNPNSc(CH2SiMe3)2THF
• Formula: C48.5 H66 Lu N2 O P S Si2
• Calculated formula: C48.5 H62 Lu N2 O P S 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: 12.0645 ± 0.0008 Å
• b: 14.3557 ± 0.0009 Å
• c: 15.3451 ± 0.001 Å
• α: 99.231 ± 0.001°
• β: 96.813 ± 0.001°
• γ: 102.039 ± 0.001°
• Cell volume: 2533.5 ± 0.3 ų
• Cell temperature: 184 ± 2 K
• Ambient diffraction temperature: 184 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No