Information card for entry 7055880

Structure parameters

• Formula: C39 H55 N5 Zr
• Calculated formula: C39 H55 N5 Zr
• SMILES: c1cccc2C(Cc3ccccc3)(Cc3ccccc3)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: 11.693 ± 0.008 Å
• b: 17.076 ± 0.011 Å
• c: 18.712 ± 0.015 Å
• α: 90°
• β: 91.569 ± 0.006°
• γ: 90°
• Cell volume: 3735 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.227
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1058
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No