Information card for entry 7008290

Structure parameters

• Formula: C12 H24 F14 O6 Sb2 Ti
• Calculated formula: C12 H24 F14 O6 Sb2 Ti
• SMILES: [Ti]1234(F)(F)[O]5CC[O]1CC[O]2CCOCC[O]3CC[O]4CC5.[Sb](F)(F)(F)(F)(F)[F-].[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Hexafluoroantimony(V) salts of the cationic Ti(IV) fluoride non metallocene complexes [TiF3(MeCN)3]+ and [TiF2L]2+ (L = 15-Crown-5 and 18-Crown-6). Preparation, characterization and thermodynamic stability.
• Authors of publication: Decken, Andreas; Ilyin, Evgeny G.; Brooke Jenkins, H. Donald; Nikiforov, Grigori B.; Passmore, Jack
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 18
• Pages of publication: 3039 - 3050
• a: 10.0613 ± 0.0006 Å
• b: 10.371 ± 0.0006 Å
• c: 12.4456 ± 0.0007 Å
• α: 84.098 ± 0.001°
• β: 77.82 ± 0.001°
• γ: 67.257 ± 0.001°
• Cell volume: 1170.39 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No