Information card for entry 7107819

Structure parameters

• Formula: Ga H62 K14 Na Nb18 O85
• Calculated formula: Ga K14 Na Nb18 O85
• SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[Nb]12345O[Nb]678(O[Nb]9%10%11%12O[Nb]%13%14%15(=O)O[Nb]%16%17(=O)(O[Nb]%18%19(=O)(O[Nb]%20%21%22(O[Nb]%23%24%25(O[Nb]%26%27%28%29O[Nb]%30%31%32([O]%33%341%27[Nb](O%28)(O3)(O[Nb]%34(O4)(O%30)(=O)O[Nb]1%33([O]%26[Nb]34(O[Nb]%26%27([O]%20[Nb]([O]%11[Nb]%11(O%27)([O]7([Ga]([O]%10%21)([O]%233%26)[O]5%29)[Nb]([O]21)(O6)(O4)(O%11)=O)(O8)=O)(O%18)(O%16)(=O)[O]%12%15%17%19%22)(=O)O%24)(O%25)=O)(=O)O%32)(=O)O%31)=O)=O)O%14)O%13)O9)=O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.[Na+]
• Title of publication: Aqueous compatibility of group IIIA monomers and Nb-polyoxoanions
• Authors of publication: Yu Hou; Todd Alam; Mark A. Rodriguez; May Nyman
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6004
• a: 18.6023 ± 0.0018 Å
• b: 18.6225 ± 0.0018 Å
• c: 24.567 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8510.5 ± 1.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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 all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0632
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No