Information card for entry 2206778

Structure parameters

• Chemical name: tetraaquabis(4,4'-bipyridine)zinc(II) bis(4-carboxybenzenesulfonate)
• Formula: C34 H34 N4 O14 S2 Zn
• Calculated formula: C34 H34 N4 O14 S2 Zn
• SMILES: [OH2][Zn]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])[OH2].[O-]S(=O)(=O)c1ccc(cc1)C(=O)O.O=C(O)c1ccc(S(=O)(=O)[O-])cc1
• Title of publication: The monodentate 4,4'-bipyridine complex tetraaquabis(4,4'-bipyridine)zinc(II) bis(4-carboxybenzenesulfonate)
• Authors of publication: Zhang, Li-Ping; Zhu, Long-Guan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1768 - m1770
• a: 7.5086 ± 0.0004 Å
• b: 7.7202 ± 0.0004 Å
• c: 16.7277 ± 0.0009 Å
• α: 92.256 ± 0.001°
• β: 93.66 ± 0.001°
• γ: 111.039 ± 0.001°
• Cell volume: 901.16 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No