Information card for entry 2221731

Structure parameters

• Chemical name: <i>catena</i>-Poly[[diaquazinc(II)]-μ-<i>trans</i>-4,4'- diazenediyldibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
• Formula: C14 H12 N2 O6 Zn
• Calculated formula: C14 H12 N2 O6 Zn
• SMILES: [Zn]([OH2])([OH2])(OC(=O)c1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1)OC(=O)c1ccc(cc1)/N=N/c1ccc(cc1)C(=O)O[Zn]([OH2])[OH2]
• Title of publication: <i>catena</i>-Poly[[diaquazinc(II)]-μ-<i>trans</i>-4,4'-diazenediyldibenzoato-κ^4^<i>O</i>,<i>O</i>':<i>O</i>'',<i>O</i>''']
• Authors of publication: Liu, Bo; Xu, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m509
• a: 22.392 ± 0.005 Å
• b: 4.9308 ± 0.001 Å
• c: 12.185 ± 0.002 Å
• α: 90°
• β: 90.3 ± 0.03°
• γ: 90°
• Cell volume: 1345.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes