Information card for entry 2019278

Structure parameters

• Chemical name: (<i>OC</i>-6‒13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)
• Formula: C9 H23 F2 O4 V
• Calculated formula: C9 H23 F2 O4 V
• SMILES: CC(C)[OH][V](=O)([OH]C(C)C)(OC(C)C)(F)F
• Title of publication: (<i>OC</i>-6-13)-Difluoridooxidobis(propan-2-ol)(propan-2-olato)vanadium(V)
• Authors of publication: Kohl, Julia; Wiedemann, Dennis
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: 1482 - 1484
• a: 9.0943 ± 0.0009 Å
• b: 9.9151 ± 0.0008 Å
• c: 16.4279 ± 0.0013 Å
• α: 97.315 ± 0.007°
• β: 97.69 ± 0.007°
• γ: 92.324 ± 0.007°
• Cell volume: 1453.5 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No