Information card for entry 7026820

Structure parameters

• Chemical name: cis-tetrafluorobis(triphenylphosphine oxide-O)titanium(IV) dichloromethane solvate
• Formula: C38 H34 Cl4 F4 O2 P2 Ti
• Calculated formula: C38 H34 Cl4 F4 O2 P2 Ti
• SMILES: c1(ccccc1)P(c1ccccc1)(=[O][Ti](F)(F)(F)(F)[O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 15.083 ± 0.002 Å
• b: 15.8121 ± 0.0015 Å
• c: 16.004 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3816.9 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No