Information card for entry 2017690

Structure parameters

• Chemical name: poly[[diaquaoxido[μ~3~-trioxidoseleato(2-)]vanadium(IV)] hemihydrate]
• Formula: H5 O6.5 Se V
• Calculated formula: H5 O6.5 Se V
• SMILES: [V]1([OH2])(=O)([OH2])O[Se](=O)O[V]2(=O)([OH2])([OH2])O[Se](O1)=[O][V]1([OH2])(=O)([OH2])O[Se](=[O]2)O[V](=O)([OH2])([OH2])O[Se](O1)=O.O.O
• Title of publication: [VO(SeO~3~)(H~2~O)~2~]·0.5H~2~O
• Authors of publication: Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: i61 - i63
• a: 18.7819 ± 0.0013 Å
• b: 6.2881 ± 0.0004 Å
• c: 10.5581 ± 0.0004 Å
• α: 90°
• β: 116.443 ± 0.004°
• γ: 90°
• Cell volume: 1116.48 ± 0.12 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0518
• Weighted residual factors for all reflections included in the refinement: 0.0541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes