Information card for entry 1565788

Structure parameters

• Formula: C56 H78 F6 O8 Ti2
• Calculated formula: C56 H78 F6 O8 Ti2
• SMILES: c12c(cc(cc1C(C)(C)C)C(C)(C)C)[C@@](C(F)(F)F)(c1ccccc1)O[Ti]1(O2)(OC(C)C)[O](C(C)C)[Ti]2(Oc3c(cc(cc3C(C)(C)C)C(C)(C)C)[C@](C(F)(F)F)(c3ccccc3)O2)(OC(C)C)[O]1C(C)C
• Title of publication: Novel alkoxo-titanium(IV) complexes with fluorinated 2-hydroxymethylphenol derivatives as catalysts for the formation of ultra-high molecular weight polyethylene nascent reactor powders
• Authors of publication: Tuskaev, Vladislav A.; Gagieva, Svetlana Ch.; Kurmaev, Dmitry A.; Zubkevich, Sergei V.; Dorovatovskii, Pavel V.; Khrustalev, Victor N.; Mikhaylik, Elena S.; Golubev, Evgenii K.; Buzin, Mikhail I.; Nikiforova, Galina G.; Vasil'ev, Viktor G.; Zvukova, Tamara M.; Bulychev, Boris M.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2019
• Journal volume: 498
• Pages of publication: 119159
• a: 10.165 ± 0.0013 Å
• b: 10.9701 ± 0.0016 Å
• c: 13.1932 ± 0.0019 Å
• α: 94.431 ± 0.006°
• β: 95.633 ± 0.008°
• γ: 103.572 ± 0.008°
• Cell volume: 1415.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.79373 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No