Information card for entry 7057013

Structure parameters

• Common name: Polyoxoometallate
• Chemical name: Na6(H2O)22(V10O28).2H2O
• Formula: H48 Na6 O52 V10
• Calculated formula: H48 Na6 O52 V10
• SMILES: O1[V]2345[O]6[V]789([O]%10[V]%11%12%13%14O[V]%15%16(O[V]%17(O2)(=O)([O]57%12%15[V]2([O]3[V]35([O]7%124%11[V]41(O3)(=O)O[V]6%107(=O)O[V]%12(O%14)(O5)(O4)=O)([O]%132)=O)(O%16)(O%17)=O)O9)(O8)=O)=O.[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].O.O.[OH2].O.O.O.O.O.O.O.O.O
• Title of publication: Vanadium-based polyoxometalate complex as a new and efficient catalyst for phenol hydroxylation under mild conditions
• Authors of publication: Sharma, Mitu; Saikia, Gangutri; Ahmed, Kabirun; Gogoi, Sandhya Rani; Puranik, Vedavati G.; Islam, Nashreen S.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 5142
• a: 10.579 ± 0.0006 Å
• b: 11.3818 ± 0.0006 Å
• c: 11.6474 ± 0.0007 Å
• α: 108.722 ± 0.003°
• β: 103.837 ± 0.003°
• γ: 111.593 ± 0.003°
• Cell volume: 1128.81 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0745
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No