Information card for entry 4335517

Structure parameters

• Formula: C9 H15 F23 N6 Ti5
• Calculated formula: C9 H15 F23 N6 Ti5
• SMILES: [Ti]12([F][Ti]3([F][Ti]([F][Ti](F)(F)(F)(F)[F][Ti]([F]3)(F)([F]2)(F)F)([F]1)(F)(F)F)(F)(F)F)(F)(F)F.c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.c1[nH]cc[nH+]1
• Title of publication: Crystal Structures and Raman Spectra of Imidazolium Poly[perfluorotitanate(IV)] Salts Containing the [TiF6]2-, ([Ti2F9]-)\ιnfty, and [Ti2F11]3- and the New [Ti4F20]4- and [Ti5F23]3- Anions
• Authors of publication: Igor M. Shlyapnikov; Hélène P. A. Mercier; Evgeny A. Goreshnik; Gary J. Schrobilgen; Zoran Mazej
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8315 - 8326
• a: 22.0259 ± 0.0004 Å
• b: 10.2622 ± 0.0002 Å
• c: 12.318 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2784.29 ± 0.09 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No