Information card for entry 7105343

Structure parameters

• Common name: Bis(pentamethylcyclopentadienyl)(trifluorethenyl)(trimethyl- siloxo)titatnium(IV)
• Chemical name: Bis(pentamethylcyclopentadienyl)(trifluorethenyl)(trimethyl- siloxo)titatnium(IV)
• Formula: C25 H39 F3 O Si Ti
• Calculated formula: C25 H39 F3 O Si Ti
• SMILES: [Ti]12345678(C(=C(F)F)F)([c]9([c]1([c]2([c]3([c]49C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)O[Si](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: 8.996 ± 0.002 Å
• b: 9.886 ± 0.003 Å
• c: 14.979 ± 0.004 Å
• α: 86.164 ± 0.006°
• β: 88.27 ± 0.006°
• γ: 73.37 ± 0.006°
• Cell volume: 1273.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No