Information card for entry 7026819

Structure parameters

• Common name: cis-tetrafluorobis(tetrahydrofuran)titanium(IV)
• Chemical name: cis-tetrafluorobis(tetrahydrofuran)titanium(IV)
• Formula: C8 H16 F4 O2 Ti
• Calculated formula: C8 H16 F4 O2 Ti
• SMILES: [Ti](F)(F)(F)(F)([O]1CCCC1)[O]1CCCC1
• Title of publication: Taking TiF4 complexes to extremes‒the first examples with phosphine co-ligands.
• Authors of publication: Jura, Marek; Levason, William; Petts, Edmund; Reid, Gillian; Webster, Michael; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 42
• Pages of publication: 10264 - 10271
• a: 6.3523 ± 0.0015 Å
• b: 11.003 ± 0.003 Å
• c: 15.84 ± 0.003 Å
• α: 90°
• β: 94.46 ± 0.02°
• γ: 90°
• Cell volume: 1103.8 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0476
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No