Information card for entry 2210213

Structure parameters

• Chemical name: catena-Poly[[[μ-4,4'-bipyridine-bis[aquazinc(II)]]-di-μ- benzene-1,3-dicarboxylato] dihydrate]
• Formula: C13 H12 N O6 Zn
• Calculated formula: C13 H12 N O6 Zn
• SMILES: [Zn]([n]1cc[c]cc1)(OC(=O)c1cccc(c1)C(=O)[O-])([OH2])OC(=O)c1cccc(C(=O)O[Zn]([n]2cc[c]cc2)[OH2])c1.O.O
• Title of publication: <i>catena</i>-Poly[[[μ-4,4'-bipyridine-bis[aquazinc(II)]]-di-μ-benzene-1,3-dicarboxylato] dihydrate]
• Authors of publication: Ling-Yun Zhang; Xian-Zhong Sun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2363 - m2365
• a: 11.73 ± 0.01 Å
• b: 9.863 ± 0.006 Å
• c: 12.23 ± 0.01 Å
• α: 90°
• β: 109.07 ± 0.02°
• γ: 90°
• Cell volume: 1337.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.137
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.18
• Weighted residual factors for all reflections included in the refinement: 0.216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No