Information card for entry 4132642

Structure parameters

• Formula: C13 H36 F3 O21 S V6
• Calculated formula: C13 H36 F3 O21 S V6
• Title of publication: Oxygen-Atom Vacancy Formation at Polyoxovanadate Clusters: Homogeneous Models for Reducible Metal Oxides.
• Authors of publication: Petel, Brittney E.; Brennessel, William W.; Matson, Ellen M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 27
• Pages of publication: 8424 - 8428
• a: 10.1551 ± 0.0004 Å
• b: 15.5316 ± 0.0008 Å
• c: 20.0248 ± 0.0011 Å
• α: 90°
• β: 90.702 ± 0.004°
• γ: 90°
• Cell volume: 3158.2 ± 0.3 ų
• Cell temperature: 192.99 ± 0.1 K
• Ambient diffraction temperature: 192.99 ± 0.1 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: 0.0684
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No