Information card for entry 4342217

Structure parameters

• Formula: C10 H10 F4 N2 O2 W
• Calculated formula: C10 H10 F4 N2 O2 W
• SMILES: [W](F)(F)(F)(F)(=O)=O.[nH+]1ccc(c2cc[nH+]cc2)cc1
• Title of publication: On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6-x](2-) (x = 1, 2) Building Units.
• Authors of publication: Gautier, Romain; Gautier, Régis; Chang, Kelvin B.; Poeppelmeier, Kenneth R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1712 - 1719
• a: 7.1281 ± 0.0002 Å
• b: 23.6372 ± 0.0006 Å
• c: 6.8472 ± 0.0002 Å
• α: 90°
• β: 93.013 ± 0.001°
• γ: 90°
• Cell volume: 1152.08 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0254
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No