Information card for entry 4102939

Structure parameters

• Formula: C46 H109 Mo24 N3 O98 P2 S10 V3
• Calculated formula: C46 H109 Mo24 N3 O98 P2 S10 V3
• Title of publication: Electron Transfer-Oxygen Transfer Oxygenation of Sulfides Catalyzed by the H5PV2Mo10O40 Polyoxometalate
• Authors of publication: Alexander M. Khenkin; Gregory Leitus; Ronny Neumann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 11446 - 11448
• a: 12.713 ± 0.003 Å
• b: 14.02 ± 0.003 Å
• c: 20.454 ± 0.004 Å
• α: 103.03 ± 0.04°
• β: 94.58 ± 0.03°
• γ: 93.89 ± 0.03°
• Cell volume: 3526.6 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0975
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No