Information card for entry 2206188

Structure parameters

• Chemical name: Difluoro(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)titanium(IV)
• Formula: C13 H14 F2 Ti
• Calculated formula: C13 H14 F2 Ti
• SMILES: [Ti]123456789(F)(F)[c]%10([cH]1[cH]2[cH]3[cH]4%10)C([c]15[cH]6[cH]7[cH]8[cH]91)(C)C
• Title of publication: Difluoro(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)titanium(IV)
• Authors of publication: Picka, Michal; Císařová, Ivana; Vinklárek, Jaromír; Erben, Milan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: m1266 - m1268
• a: 7.97 ± 0.0002 Å
• b: 14.374 ± 0.0003 Å
• c: 9.575 ± 0.0002 Å
• α: 90°
• β: 100.335 ± 0.0015°
• γ: 90°
• Cell volume: 1079.12 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes