Information card for entry 4509858

Structure parameters

• Formula: C10 H10 F5 N2 O Ta
• Calculated formula: C10 H10 F4.99333 N2 O1.00667 Ta
• 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: 7.1842 ± 0.0003 Å
• b: 13.2358 ± 0.0005 Å
• c: 20.0804 ± 0.0008 Å
• α: 74.8179 ± 0.0019°
• β: 89.3805 ± 0.0017°
• γ: 85.8098 ± 0.0016°
• Cell volume: 1837.78 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No