Information card for entry 4337526

Structure parameters

• Formula: C5 H6 F4 N Nb O
• Calculated formula: C4.98 H6 F4 N1.02 Nb O
• Title of publication: From solution to the solid state: control of niobium oxide-fluoride [NbOxFy]n- species.
• Authors of publication: Lu, Hongcheng; Gautier, Romain; Donakowski, Martin D.; Liu, Zhengtang; Poeppelmeier, Kenneth R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 537 - 542
• a: 3.9511 ± 0.0004 Å
• b: 14.0715 ± 0.0017 Å
• c: 7.089 ± 0.0009 Å
• α: 90°
• β: 93.464 ± 0.005°
• γ: 90°
• Cell volume: 393.41 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1165
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No