Information card for entry 2238290

Structure parameters

• Chemical name: <i>catena</i>-Poly[aquabis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc]
• Formula: C14 H10 Cl2 O5 Zn
• Calculated formula: C14 H10 Cl2 O5 Zn
• SMILES: [Zn]1([OH2])([O]=C(c2cc(Cl)ccc2)O[Zn]([OH2])[O]=C(O1)c1cc(Cl)ccc1)(OC(=O)c1cc(Cl)ccc1)OC(=O)c1cc(Cl)ccc1
• Title of publication: <i>catena</i>-Poly[aquabis(μ-3-chlorobenzoato-κ^2^<i>O</i>:<i>O</i>')zinc]
• Authors of publication: Bozkurt, Nihat; Dilek, Nefise; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: m381 - m382
• a: 31.8553 ± 0.0008 Å
• b: 6.1786 ± 0.0002 Å
• c: 7.5117 ± 0.0003 Å
• α: 90°
• β: 96.554 ± 0.002°
• γ: 90°
• Cell volume: 1468.8 ± 0.08 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0671
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes