Information card for entry 4079171

Structure parameters

• Formula: C40 H40 Hf N2
• Calculated formula: C40 H40 Hf N2
• SMILES: [Hf]1(N(c2cccc3c2[n]1c(cc3C)C)c1c(cccc1C)C)(Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Hafnium Amidoquinoline Complexes: Highly Active Olefin Polymerization Catalysts with Ultrahigh Molecular Weight Capacity
• Authors of publication: Fontaine, Philip P.; Klosin, Jerzy; McDougal, Nolan T.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6244
• a: 10.6348 ± 0.0008 Å
• b: 13.7845 ± 0.001 Å
• c: 22.0152 ± 0.0016 Å
• α: 90°
• β: 96.368 ± 0.001°
• γ: 90°
• Cell volume: 3207.4 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0501
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No