Information card for entry 2016018

Structure parameters

• Common name: sodium decavanadate(V) tetrahydrate
• Chemical name: poly[[octa-μ-aqua-dodecaaqua-μ-octacosaoxidodecavanadato-hexasodium] tetrahydrate]
• Formula: H48 Na6 O52 V10
• Calculated formula: H48 Na6 O52 V10
• SMILES: [V]1234(=O)O[V]567(O[V]89(O1)([O]1%1036[V]36%11([O]%12[V]%10(O2)(=O)(O8)[O]2[V]8%101([O]5[V]15(O[V]%13%14(=O)(O[V]%15([O]381%13[V]%122(=O)(O%14)O%15)(O5)(=O)O%11)O%10)(=O)[O]76)O9)O4)=O)=O.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Na~6~(H~2~O)~20~(V~10~O~28~)·4H~2~O, a novel polyvanadate(V) with a three-dimensional framework
• Authors of publication: Guo, Hong-Xu; Yao, Zhong-Liang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: i51 - i53
• a: 10.5834 ± 0.0003 Å
• b: 11.3803 ± 0.0003 Å
• c: 11.6367 ± 0.0003 Å
• α: 108.682 ± 0.004°
• β: 103.775 ± 0.002°
• γ: 111.674 ± 0.003°
• Cell volume: 1128.19 ± 0.08 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0415
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes