Information card for entry 4335516

Structure parameters

• Formula: C12 H20 F20 N8 Ti4
• Calculated formula: C12 H20 F20 N8 Ti4
• SMILES: c1[nH]cc[nH+]1.c1[nH]cc[nH+]1.[F]1[Ti](F)(F)([F][Ti]([F][Ti]([F][Ti]1(F)(F)(F)F)(F)(F)(F)F)(F)(F)(F)F)(F)F.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: 8.791 ± 0.003 Å
• b: 9.971 ± 0.004 Å
• c: 10.126 ± 0.004 Å
• α: 118.808 ± 0.008°
• β: 92.366 ± 0.003°
• γ: 113.595 ± 0.008°
• Cell volume: 681.7 ± 0.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No