Information card for entry 4342218

Structure parameters

• Formula: C10 H10 F5 N2 O V
• Calculated formula: C10 H10 F5 N2 O V
• SMILES: [V](F)(F)(F)(F)(F)=O.c1[nH+]ccc(c1)c1cc[nH+]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: 6.9059 ± 0.0005 Å
• b: 23.546 ± 0.0018 Å
• c: 6.9082 ± 0.0005 Å
• α: 90°
• β: 93.806 ± 0.005°
• γ: 90°
• Cell volume: 1120.84 ± 0.14 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: 0.0946
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No