Information card for entry 2014463

Structure parameters

• Chemical name: Bis(cumylcyclopentadienyl) dichlorotitanium(IV)
• Formula: C28 H30 Cl2 Ti
• Calculated formula: C28 H30 Cl2 Ti
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Ti]12345678(Cl)(Cl)[cH]2[cH]6[cH]7[cH]8[c]12C(C)(C)c1ccccc1)C(C)(C)c1ccccc1
• Title of publication: Dichlorobis(cumylcyclopentadienyl)titanium(IV)
• Authors of publication: Roberto Centore; Zsolt Csok; Angela Tuzi
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: m625 - m627
• a: 18.816 ± 0.005 Å
• b: 6.645 ± 0.003 Å
• c: 19.12 ± 0.02 Å
• α: 90°
• β: 101.77 ± 0.03°
• γ: 90°
• Cell volume: 2340 ± 3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: Mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes