Information card for entry 2015810

Structure parameters

• Common name: Vanadyltriflate
• Chemical name: Pentaaquaoxovanadium(IV) trifluoromethanesulfonate
• Formula: C2 H10 F6 O12 S2 V
• Calculated formula: C2 H10 F6 O12 S2 V
• Title of publication: Pentaaquaoxovanadium(IV) bis(trifluoromethanesulfonate)
• Authors of publication: Magnussen, Magnus; Brock-Nannestad, Theis; Bendix, Jesper
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m51 - m53
• a: 9.688 ± 0.002 Å
• b: 7.7579 ± 0.0017 Å
• c: 10.219 ± 0.004 Å
• α: 90°
• β: 102.684 ± 0.019°
• γ: 90°
• Cell volume: 749.3 ± 0.4 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 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: 0.0434
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes