Information card for entry 2222372

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaquazinc(II)]-μ-4,4'-bipyridine- κ^2^<i>N</i>:<i>N</i>'] benzene-1,4-dicarboxylate]
• Formula: C18 H20 N2 O8 Zn
• Calculated formula: C18 H20 N2 O8 Zn
• SMILES: [Zn]([OH2])([OH2])([OH2])([OH2])([n]1ccc(cc1)c1cc[n](cc1)[Zn]([OH2])([OH2])([OH2])[OH2])[n]1ccc(c2ccncc2)cc1.[O-]C(=O)c1ccc(cc1)C(=O)[O-].[O-]C(=O)c1ccc(cc1)C(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>'] benzene-1,4-dicarboxylate]
• Authors of publication: Ruan, Ming-Bo; Deng, Jian-Cheng; Li, Zhi-Gang; Xu, Jing-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m743
• a: 6.9861 ± 0.0012 Å
• b: 11.3436 ± 0.0019 Å
• c: 11.3219 ± 0.0019 Å
• α: 90°
• β: 101.209 ± 0.003°
• γ: 90°
• Cell volume: 880.1 ± 0.3 ų
• Cell temperature: 186 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes