Information card for entry 4079144

Structure parameters

• Chemical name: (2,6-diisopropyl-phenyl)-[(2-isopropyl-phenyl)-[6-(1H-pyrrol-2-yl)- pyridin-2-yl]-methyl]-amine-bis(dimethylamino) -Hafnium
• Formula: C35 H47 Hf N5
• Calculated formula: C35 H47 Hf N5
• SMILES: [Hf]12(N(C(c3[n]1c(ccc3)c1n2ccc1)c1ccccc1C(C)C)c1c(cccc1C(C)C)C(C)C)(N(C)C)N(C)C
• Title of publication: New Titanium and Hafnium Complexes Bearing [−NNN‒] Pyrrolylpyridylamido Ligands as Olefin Polymerization Catalysts
• Authors of publication: Li, Gang; Lamberti, Marina; Roviello, Giuseppina; Pellecchia, Claudio
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6772
• a: 35.772 ± 0.002 Å
• b: 13.073 ± 0.003 Å
• c: 14.102 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6595 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0501
• Weighted residual factors for all reflections included in the refinement: 0.0516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No