Information card for entry 2204338

Structure parameters

• Chemical name: Pentaaquaoxovanadium(IV) bis(sulfosalicylate) dihydrate
• Formula: C14 H24 O20 S2 V
• Calculated formula: C14 H24 O20 S2 V
• SMILES: [V](=O)([OH2])([OH2])([OH2])([OH2])[OH2].OC(=O)c1cc(S(=O)(=O)[O-])ccc1O.OC(=O)c1cc(S(=O)(=O)[O-])ccc1O.O.O
• Title of publication: Pentaaquaoxovanadium(IV) bis(sulfonatosalicylic acid) dihydrate
• Authors of publication: Lianzhi Li; Tao Xu; Daqi Wang; Meiju Niu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1374 - m1375
• a: 12.873 ± 0.011 Å
• b: 6.777 ± 0.006 Å
• c: 27.28 ± 0.02 Å
• α: 90°
• β: 94.393 ± 0.012°
• γ: 90°
• Cell volume: 2373 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0717
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes