Information card for entry 4509857

Structure parameters

• Formula: C10 H10 F6 N3 Ta
• Calculated formula: C10 H10 F6 N3 Ta
• SMILES: N(c1[nH+]cccc1)c1ncccc1.[Ta](F)(F)(F)(F)(F)[F-]
• Title of publication: Specific Chemistry of the Anions: [TaOF5]2‒, [TaF6]−, and [TaF7]2‒
• Authors of publication: Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Fuoco, Lindsay; Liu, Zhengtang; Poeppelmeier, Kenneth R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 844
• a: 8.9303 ± 0.0003 Å
• b: 17.7866 ± 0.0006 Å
• c: 7.9821 ± 0.0003 Å
• α: 90°
• β: 96.7172 ± 0.0016°
• γ: 90°
• Cell volume: 1259.17 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0163
• Residual factor for significantly intense reflections: 0.0157
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No