Information card for entry 7053071

Structure parameters

• Formula: C21 H36 Lu N Si
• Calculated formula: C21 H36 Lu N Si
• SMILES: [Lu]123456789([N]%10([Si]([c]%111[c]2([c]3([c]4([c]5%11C)C)C)C)(C)C)CCCC%10)([CH2]=[CH]6C7)[CH2]=[CH]8C9
• 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: 26.9928 ± 0.0009 Å
• b: 9.9102 ± 0.0002 Å
• c: 17.1932 ± 0.0005 Å
• α: 90°
• β: 112.218 ± 0.004°
• γ: 90°
• Cell volume: 4257.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No