Information card for entry 2214505

Structure parameters

• Chemical name: <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-μ- 4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Formula: C10 H18 N2 O9 S Zn
• Calculated formula: C10 H8 N2 O9 S Zn
• SMILES: [Zn](OS(=O)(=O)[O-])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)[n]1ccc(c2cc[n]([Zn](OS(=O)(=O)[O-])([OH2])([OH2])[OH2])cc2)cc1.O.O.O.O
• Title of publication: A reinvestigation of the space group of <i>catena</i>-poly[[[triaqua(sulfato-κ<i>O</i>)zinc(II)]-<i>{μ</i>}-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] dihydrate]
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2225 - m2226
• a: 11.4275 ± 0.0003 Å
• b: 11.4275 Å
• c: 20.9322 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2367.27 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes