Information card for entry 4326710

Structure parameters

• Formula: Cl6 Cs11 Na3 O36 V15
• Calculated formula: Cl6 Cs11 Na3 O36 V15
• SMILES: [Cl-].[V]123(O[V]45(=O)[O]6[V]78([O]1[V]19([O]%10[V]%11(O[V]%12%13([O]%14[V]6(=O)([O]4[V]46([O]%15[V]%16([O]%17[V]%18%19(O[V]%20%15(=O)[O]6[V]6%14([O]%20[V]%14([O]%11[V]%10([O]%18[V]%17([O]21)(=O)[O]3%16)(=O)[O]%19%14)(=O)[O]%136)=O)=O)(=O)[O]54)=O)[O]7%12)=O)(=O)[O]89)=O)=O)=O.[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Cs+].[Na+].[Cs+].[Na+].[Cs+].[Cs+].[Na+].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-]
• Title of publication: Extended Utility of Molten-Salt Chemistry: Unprecedented Synthesis of a Water-Soluble Salt-Inclusion Solid Comprised of High-Nuclearity Vanadium Oxide Clusters
• Authors of publication: Wendy L. Queen; J. Palmer West; Joan Hudson; Shiou-Jyh Hwu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11064 - 11068
• a: 11.819 ± 0.004 Å
• b: 11.819 ± 0.004 Å
• c: 11.476 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1388.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 187
• Hermann-Mauguin space group symbol: P -6 m 2
• Hall space group symbol: P -6 2
• Residual factor for all reflections: 0.0374
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No