Information card for entry 7008288

Structure parameters

• Formula: C8 H12 F9 N4 Sb Ti
• Calculated formula: C8 H12 F9 N4 Sb Ti
• SMILES: [Ti](F)(F)(F)([N]#CC)([N]#CC)[N]#CC.[Sb](F)(F)(F)(F)(F)[F-].CC#N
• 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: 8.7491 ± 0.0018 Å
• b: 23.322 ± 0.005 Å
• c: 8.8016 ± 0.0019 Å
• α: 90°
• β: 96.995 ± 0.004°
• γ: 90°
• Cell volume: 1782.6 ± 0.7 ų
• Cell temperature: 198 ± 1 K
• Ambient diffraction temperature: 198 ± 1 K
• Number of distinct elements: 6
• 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: 0.0781
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1679
• Weighted residual factors for all reflections included in the refinement: 0.182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No