Information card for entry 4072523

Structure parameters

• Chemical name: bis[2-[[(pentafluorophenyl)imino-κN]methyl]-4,6-di(1-methyl- 1-phenylethyl)phenolato-κO]bis(phenylmethyl)hafnium(IV)
• Formula: C76 H64 F10 Hf N2 O2
• Calculated formula: C76 H64 F10 Hf N2 O2
• SMILES: [Hf]12([N](=Cc3c(O1)c(cc(c3)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)c1c(F)c(F)c(F)c(F)c1F)([N](=Cc1c(O2)c(cc(c1)C(C)(C)c1ccccc1)C(C)(C)c1ccccc1)c1c(F)c(F)c(c(F)c1F)F)(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: 30.721 ± 0.006 Å
• b: 19.795 ± 0.004 Å
• c: 22.751 ± 0.005 Å
• α: 90°
• β: 95.02 ± 0.03°
• γ: 90°
• Cell volume: 13782 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1199
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.1645
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No