Information card for entry 2219942

Structure parameters

• Chemical name: Diethylenetriaminium hexafluoridotitanate(IV) fluoride
• Formula: C6 H21 F7 N4 Ti
• Calculated formula: C6 H21 F7 N4 Ti
• SMILES: [Ti](F)(F)(F)(F)([F-])[F-].N(CC[NH3+])(CC[NH3+])CC[NH3+].[F-]
• Title of publication: Diethylenetriaminium hexafluoridotitanate(IV) fluoride
• Authors of publication: Lhoste, J.; Adil, K.; Leblanc, M.; Maisonneuve, V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1375
• a: 16.265 ± 0.004 Å
• b: 8.089 ± 0.003 Å
• c: 21.778 ± 0.005 Å
• α: 90°
• β: 110.54 ± 0.02°
• γ: 90°
• Cell volume: 2683.1 ± 1.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1411
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes