Information card for entry 4072078

Structure parameters

• Formula: C36 H50 N3 Sc Si2
• Calculated formula: C36 H50 N3 Sc Si2
• SMILES: [Sc]12(N(c3c(C=[N]1c1c(cccc1C(C)C)C(C)C)cccc3)c1cccc3c1[n]2ccc3)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Rare-Earth Metal Bis(alkyl)s Supported by a Quinolinyl Anilido-Imine Ligand: Synthesis and Catalysis on Living Polymerization of ε-Caprolactone
• Authors of publication: Gao, Wei; Cui, Dongmei; Liu, Xiaoming; Zhang, Yu; Mu, Ying
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5889
• a: 10.0455 ± 0.001 Å
• b: 10.5478 ± 0.001 Å
• c: 18.0428 ± 0.0017 Å
• α: 84.01 ± 0.002°
• β: 82.35 ± 0.002°
• γ: 73.292 ± 0.002°
• Cell volume: 1810.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0733
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No