Information card for entry 4072522

Structure parameters

• Chemical name: bis[2-[[(phenylmethyl)imino-kN]methyl]-4,6-di(1-methyl-1-phenylethyl) phenolato-kO]bis(phenylmethyl)hafnium(IV)
• Formula: C78 H78 Hf N2 O2
• Calculated formula: C78 H78 Hf N2 O2
• SMILES: [Hf]12(Oc3c(cc(cc3C(C)(C)c3ccccc3)C(C)(C)c3ccccc3)C=[N]1Cc1ccccc1)(Oc1c(cc(cc1C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)C=[N]2Cc1ccccc1)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Hafnium Bis(phenoxyimino) Dibenzyl Complexes and Their Activation toward Olefin Polymerization
• Authors of publication: Axenov, Kirill V.; Klinga, Martti; Lehtonen, Olli; Koskela, Harri T.; Leskelä, Markku; Repo, Timo
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1444
• a: 14.608 ± 0.002 Å
• b: 15.646 ± 0.002 Å
• c: 15.844 ± 0.002 Å
• α: 89.03 ± 0.01°
• β: 65.96 ± 0.01°
• γ: 73.39 ± 0.01°
• Cell volume: 3148.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0839
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No