Information card for entry 7026823

Structure parameters

• Chemical name: benzene-1,2-diylbis(diphenylphosphonium) hexakis(mu2-fluoro)dodecafluoro-tetratitanium(IV)
• Formula: C30 H26 F18 P2 Ti4
• Calculated formula: C30 H26 F18 P2 Ti4
• SMILES: [Ti]12([F][Ti]3([F][Ti]([F]1)([F][Ti]([F]2)([F]3)(F)(F)F)(F)(F)F)(F)(F)F)(F)(F)F.[PH+](c1ccccc1)(c1ccccc1)c1ccccc1[PH+](c1ccccc1)c1ccccc1
• 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: 15.2643 ± 0.0015 Å
• b: 14.9245 ± 0.0015 Å
• c: 16.7471 ± 0.0015 Å
• α: 90°
• β: 104.312 ± 0.007°
• γ: 90°
• Cell volume: 3696.8 ± 0.6 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: 0.1197
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No