Information card for entry 7026824

Structure parameters

• Chemical name: Tetrafluoro(1,2-bis(diethylphosphino)ethane-P,P')titanium(IV)
• Formula: C10 H24 F4 P2 Ti
• Calculated formula: C10 H24 F4 P2 Ti
• SMILES: CC[P]1(CC)CC[P]([Ti]1(F)(F)(F)F)(CC)CC
• 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: 9.0424 ± 0.001 Å
• b: 11.7804 ± 0.0015 Å
• c: 14.6584 ± 0.0015 Å
• α: 90°
• β: 104.764 ± 0.01°
• γ: 90°
• Cell volume: 1509.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0873
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No