Information card for entry 4063935

Structure parameters

• Formula: C18 H43 N2 Sc Si4
• Calculated formula: C18 H43 N2 Sc Si4
• SMILES: [Sc]1234(N([SiH](C)C)[SiH](C)C)(N([SiH](C)C)[SiH](C)C)[c]5([c]3([c]4([c]1([c]25C)C)C)C)C
• Title of publication: Half-Sandwich Scandium Bis(amide) Complexes as Efficient Catalyst Precursors for Syndiospecific Polymerization of Styrene
• Authors of publication: Luo, Yunjie; Feng, Xiaoying; Wang, Yibin; Fan, Shimin; Chen, Jue; Lei, Yinlin; Liang, Hongze
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 12
• Pages of publication: 3270
• a: 9.4039 ± 0.0006 Å
• b: 11.5196 ± 0.0008 Å
• c: 14.5409 ± 0.0012 Å
• α: 73.879 ± 0.011°
• β: 71.568 ± 0.01°
• γ: 69.711 ± 0.011°
• Cell volume: 1376.5 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No