Information card for entry 7054776

Structure parameters

• Formula: C31 H52 N O Si3 Y
• Calculated formula: C31 H52 N O Si3 Y
• SMILES: [Y]1([N]2(CCCC2)[Si](C12c1ccccc1c1ccccc21)(C)C)([O]1CCCC1)(C[Si](C)(C)C)C[Si](C)(C)C
• Title of publication: Rare-earth metal bis(alkyl) complexes bearing pyrrolidinyl-functionalized cyclopentadienyl, indenyl and fluorenyl ligands: synthesis, characterization and the ligand effect on isoprene polymerization
• Authors of publication: Deng, Meng; Chi, Shuhui; Luo, Yunjie
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 10
• Pages of publication: 7575
• a: 10.1323 ± 0.0004 Å
• b: 11.1789 ± 0.0004 Å
• c: 30.7457 ± 0.0011 Å
• α: 90°
• β: 96.195 ± 0.004°
• γ: 90°
• Cell volume: 3462.2 ± 0.2 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 6
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No