Information card for entry 2225447

Structure parameters

• Chemical name: Hexakis(tetraaquasodium) decavanadate(V) dihydrate
• Formula: H52 Na6 O54 V10
• Calculated formula: H52 Na6 O54 V10
• SMILES: [V]12345[O]6[V]789(=O)O[V]%10%11(=O)(O[V]%12%13%14(=O)[O]1[V]1%15%16(=O)[O]%14[V]%14%17%18([O]38%11%13[V](O7)(O%12)(O%10)(O%14)=O)[O]9[V]376(=O)O[V]6(O%15)(O[V](=O)(O1)(O3)(O%17)[O]4%16%1876)(O5)=O)O2.[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.O.O
• Title of publication: Hexakis(tetraaquasodium) decavanadate(V) dihydrate
• Authors of publication: Nilsson, Jessica; Nordlander, Ebbe; Behrens, Ulrich; Rehder, Dieter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: i30 - i31
• a: 9.6144 ± 0.0009 Å
• b: 11.726 ± 0.0011 Å
• c: 11.8691 ± 0.0011 Å
• α: 92.446 ± 0.001°
• β: 113.582 ± 0.001°
• γ: 100.274 ± 0.001°
• Cell volume: 1197.01 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0259
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections included in the refinement: 0.0565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes