Information card for entry 7105339

Structure parameters

• Common name: Chloro-bis(ethyltetramethylcyclopentadienyl)(trifluoro- ethenyl)titanium(IV)
• Chemical name: Chloro-bis(ethyltetramethylcyclopentadienyl)(trifluoro- ethenyl)titanium(IV)
• Formula: C24 H34 Cl F3 Ti
• Calculated formula: C24 H34 Cl F3 Ti
• SMILES: [Ti]12345678(Cl)(C(=C(F)F)F)([c]9([c]1([c]2([c]3([c]49CC)C)C)C)C)[c]1([c]5([c]6([c]7([c]81CC)C)C)C)C
• Title of publication: Synthesis and reactions of hydroxobis(eta5-pentamethylcyclopenta-dienyl)(trifluoroethenyl)titanium(IV).
• Authors of publication: Kickbusch, Rainer; Lentz, Dieter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 12
• Pages of publication: 2118 - 2120
• a: 8.4533 ± 0.0017 Å
• b: 9.1295 ± 0.0018 Å
• c: 15.551 ± 0.003 Å
• α: 77.122 ± 0.004°
• β: 82.512 ± 0.004°
• γ: 74.816 ± 0.004°
• Cell volume: 1125.8 ± 0.4 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: 0.0461
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.0925
• 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: No
• Has Fobs: No