Information card for entry 2234464

Structure parameters

• Chemical name: Pentaaqua(4,6-dihydroxybenzene-1,3-disulfonato-κ<i>O</i>^1^)zinc pentahydrate
• Formula: C6 H24 O18 S2 Zn
• Calculated formula: C6 H24 O18 S2 Zn
• SMILES: [Zn](OS(=O)(=O)c1c(O)cc(O)c(S(=O)(=O)[O-])c1)([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O
• Title of publication: Pentaaqua(4,6-dihydroxybenzene-1,3-disulfonato-κ<i>O</i>^1^)zinc pentahydrate
• Authors of publication: Zhu, Zhi-Biao; Gao, Shan; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m492 - m493
• a: 7.1479 ± 0.0003 Å
• b: 11.8929 ± 0.0005 Å
• c: 12.2044 ± 0.0006 Å
• α: 109.368 ± 0.001°
• β: 104.69 ± 0.001°
• γ: 92.953 ± 0.001°
• Cell volume: 936.27 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0906
• 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