Information card for entry 7055879

Structure parameters

• Formula: C32 H49 N5 Zr
• Calculated formula: C32 H49 N5 Zr
• SMILES: c1cccc2C(C)(c3ccccc3)CN(c3c(cccc3C(C)C)C(C)C)[Zr]([n]12)(N(C)C)(N(C)C)N(C)C
• 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: 21.595 ± 0.003 Å
• b: 11.459 ± 0.018 Å
• c: 26.335 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6517 ± 10 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1195
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.1838
• Weighted residual factors for all reflections included in the refinement: 0.2115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No