Information card for entry 7050041

Structure parameters

• Chemical name: μ6-oxo-dodeca-μ-methoxo-hexakis(oxovanadium)
• Formula: C12 H36 O19 V6
• Calculated formula: C12 H36 O19 V6
• Title of publication: EPR study of the magnetic states of mixed-valence VIV4 - VV2 alkoxypolyoxovanadium cluster
• Authors of publication: Yurii, Yablokov; Maria A. Augustyniak-Jablokow; .; Serguei Borshch; .; Daniel, Charles; Hartl, Hans
• Journal of publication: New J.Chem.(Nouv.J.Chim.)
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 8
• Pages of publication: 1064
• a: 20.8343 ± 0.0012 Å
• b: 10.083 ± 0.0006 Å
• c: 13.5064 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2837.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No