Information card for entry 7026822

Structure parameters

• Chemical name: tetrafluorobis(triphenylarsine oxide)titanium(IV) dichloromethane solvate
• Formula: C38 H34 As2 Cl4 F4 O2 Ti
• Calculated formula: C38 H34 As2 Cl4 F4 O2 Ti
• SMILES: c1(ccccc1)[As](c1ccccc1)(=[O][Ti](F)(F)(F)(F)[O]=[As](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: 15.091 ± 0.003 Å
• b: 16.284 ± 0.005 Å
• c: 16.152 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3969.2 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No