Information card for entry 2007289

Structure parameters

• Chemical name: biammonium trisodium nonadecaoxo(tritungsto)trivanadate dodecahydrate
• Formula: H32 N2 Na3 O31 V3 W3
• Calculated formula: N2 Na3 O31 V3 W3
• SMILES: [V]1234(O[W]56(O[V]7(O2)(O[V]2(O1)(O[W](O5)(O[W](O3)(O6)(O2)=O)(O7)(O4)=O)=O)=O)=O)=O.[Na+].[Na+].O.O.O.O.O.O.O.[NH4+].[Na+].O.O.O.O.O.[NH4+]
• Title of publication: (NH~4~)~2~Na~3~(V~3~W~3~O~19~).12H~2~O
• Authors of publication: Xu, Yan; Xu, Ji-Qing; Yang, Guo-Yu; Wang, Tie-Gang; Xing, Yan; Lin, Yong-Hua; Jia, Heng-Qing
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 563 - 565
• a: 9.19 ± 0.005 Å
• b: 9.232 ± 0.002 Å
• c: 9.66 ± 0.002 Å
• α: 79.15 ± 0.01°
• β: 85.82 ± 0.03°
• γ: 65.39 ± 0.04°
• Cell volume: 731.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections: 0.1792
• Weighted residual factors for significantly intense reflections: 0.1598
• Goodness-of-fit parameter for all reflections: 1.203
• Goodness-of-fit parameter for significantly intense reflections: 1.226
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No