Information card for entry 4065611

Structure parameters

• Formula: C27 H41 N2 O Sc Si2
• Calculated formula: C27 H41 N2 O Sc Si2
• SMILES: [Sc]1([n]2cccc3cccc(N1c1ccccc1)c23)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Stereoselective Polymerization of Styrene with Cationic Scandium Precursors Bearing Quinolyl Aniline Ligands
• Authors of publication: Liu, Dongtao; Luo, Yunjie; Gao, Wei; Cui, Dongmei
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1916
• a: 10.8063 ± 0.0008 Å
• b: 10.9221 ± 0.0008 Å
• c: 14.216 ± 0.0011 Å
• α: 96.066 ± 0.001°
• β: 106.887 ± 0.001°
• γ: 109.362 ± 0.001°
• Cell volume: 1476.33 ± 0.19 ų
• Cell temperature: 187 ± 2 K
• Ambient diffraction temperature: 187 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1256
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No