Information card for entry 2015628

Structure parameters

• Chemical name: catena-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]
• Formula: C22 H32 N2 O15 S2 Zn
• Calculated formula: C22 H32 N2 O15 S2 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1cc[n](cc1)[Zn]([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])c1ccc(O)cc1.S(=O)(=O)([O-])c1ccc(O)cc1.O.O.O.S(=O)(=O)([O-])c1ccc(O)cc1.S(=O)(=O)([O-])c1ccc(O)cc1.O.O.O
• Title of publication: <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine] bis(4-hydroxybenzenesulfonate) trihydrate]
• Authors of publication: Yu-Ling Wang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m522 - m524
• a: 17.623 ± 0.001 Å
• b: 7.2451 ± 0.0006 Å
• c: 11.3957 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1455.01 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0351
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes