Information card for entry 2217565

Structure parameters

• Chemical name: <i>catena</i>-Poly[[tetraaquazinc(II)]- μ-2,2'-dihydroxy-5,5'-diazenediyldibenzoato]
• Formula: C14 H16 N2 O10 Zn
• Calculated formula: C14 H16 N2 O10 Zn
• SMILES: [Zn](OC(=O)c1c(O)ccc(/N=N/c2ccc(O)c(c2)C(=O)[O-])c1)([OH2])([OH2])([OH2])([OH2])OC(=O)c1c(O)ccc(/N=N/c2ccc(O)c(C(=O)O[Zn]([OH2])([OH2])([OH2])[OH2])c2)c1
• Title of publication: <i>catena</i>-Poly[[tetraaquazinc(II)]-μ-2,2'-dihydroxy-5,5'-diazenediyldibenzoato]
• Authors of publication: Tan, Yu-Hui; Li, Qing-Song; Luo, Xian-Ping; Xie, Xiao-Bing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m276 - m277
• a: 9.51 ± 0.002 Å
• b: 11.255 ± 0.003 Å
• c: 16.214 ± 0.004 Å
• α: 90°
• β: 107.019 ± 0.003°
• γ: 90°
• Cell volume: 1659.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes