Information card for entry 7053069

Structure parameters

• Formula: C21 H36 N Sc Si
• Calculated formula: C21 H36 N Sc Si
• SMILES: [Sc]12345678([c]9([Si](N%10CCCC%10)(C)C)[c]1([c]2([c]3([c]49C)C)C)C)([CH2]=[CH]5C6)[CH2]=[CH]7C8
• Title of publication: Half-sandwich rare-earth-metal derivatives bearing pyrrolidinyl-functionalized cyclopentadienyl ligand: synthesis, characterization and catalysis in syndiospecific polymerization of styrene
• Authors of publication: Luo, Yunjie; Chi, Shuhui; Chen, Jue
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 9
• Pages of publication: 2675
• a: 10.037 ± 0.003 Å
• b: 16.03 ± 0.004 Å
• c: 14.767 ± 0.004 Å
• α: 90°
• β: 109.64 ± 0.007°
• γ: 90°
• Cell volume: 2237.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1675
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2371
• Weighted residual factors for all reflections included in the refinement: 0.2775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No