Information card for entry 7035536

Structure parameters

• Chemical name: pyridinium trans-tetrafluoridobis(pyridine)vanadate(III)‒ethanol (3/2)
• Formula: C49 H60 F12 N9 O2 V3
• Calculated formula: C49 H60 F12 N9 O2 V3
• Title of publication: Ternary transition-metal fluoride precursors for the fluorolytic sol-gel route: new insights into speciation and decomposition.
• Authors of publication: Kohl, J.; Wiedemann, D.; Troyanov, S. I.; Palamidis, E.; Lerch, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 29
• Pages of publication: 13272 - 13281
• a: 8.4345 ± 0.0006 Å
• b: 31.4088 ± 0.0012 Å
• c: 10.9799 ± 0.0006 Å
• α: 90°
• β: 111.971 ± 0.007°
• γ: 90°
• Cell volume: 2697.5 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No