Information card for entry 7112958

Structure parameters

• Formula: H68 Mo17 N10 O91 S V8
• Calculated formula: Mo17 N10 O92.1 S V8
• Title of publication: Controlling transformations in the assembly of polyoxometalate clusters: {Mo11V7}, {Mo17V8} and {Mo72V30}.
• Authors of publication: Miras, Haralampos N.; Ochoa, M. Nieves Corella; Long, De-Liang; Cronin, Leroy
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 43
• Pages of publication: 8148 - 8150
• a: 15.6986 ± 0.0005 Å
• b: 21.4976 ± 0.0003 Å
• c: 25.9861 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8769.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1518
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No