Information card for entry 4105615

Structure parameters

• Formula: C64 N4 O40 Si V2 W10
• Calculated formula: C64 N4 O40 Si V2 W10
• SMILES: [W]1234(O[V]56(O[V]7(O5)(O[W]589(O[W]%10%11(O1)(O[W]1%12(O3)(O[W]3(O8)(O%10)(O[W]8%10%13(O[W]%14(O7)(O5)(O[W]57(O[W]%15(O6)(O2)(O[W](O5)(O%10)(O1)([O]%137[Si]([O]4%15)([O]9%14)[O]%11%123)=O)=O)(O8)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Heterolytic Dissociation of Water Demonstrated by Crystal-to-Crystal Core Interconversion from (μ-Oxo)divanadium to Bis(μ-hydroxo)divanadium Substituted Polyoxometalates
• Authors of publication: Kazuhiro Uehara; Noritaka Mizuno
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1622 - 1625
• a: 18.7387 ± 0.0002 Å
• b: 21.4365 ± 0.0003 Å
• c: 25.4175 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10210 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.1491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No