Information card for entry 7055881

Structure parameters

• Formula: C52 H75 N2 O Si2 Y
• Calculated formula: C52 H75 N2 O Si2 Y
• SMILES: c1cccc2C(Cc3ccccc3)(Cc3ccccc3)CN(c3c(cccc3C(C)C)C(C)C)[Y](C[Si](C)(C)C)(C[Si](C)(C)C)[n]12.C1CCCO1.Cc1ccccc1
• Title of publication: C1 and Cs 2-pyridylethylanilido zirconium(iv), yttrium(iii) and lutetium(iii) complexes: synthesis, characterization and catalytic activity in the isoprene polymerization
• Authors of publication: Luconi, Lapo; Kissel, Alexander A.; Rossin, Andrea; Khamaletdinova, Nadiya M.; Cherkasov, Anton V.; Tuci, Giulia; Fukin, Georgy K.; Trifonov, Alexander A.; Giambastiani, Giuliano
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 540
• a: 10.2449 ± 0.0007 Å
• b: 18.0995 ± 0.0012 Å
• c: 26.6375 ± 0.0019 Å
• α: 90°
• β: 95.685 ± 0.001°
• γ: 90°
• Cell volume: 4915 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No