Information card for entry 2237784

Structure parameters

• Chemical name: <i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Formula: C19 H14 N2 O6 Zn
• Calculated formula: C19 H14 N2 O6 Zn
• SMILES: [Zn](OC(=O)c1cc(cc(c1)C(=O)O)C(=O)[O-])([n]1ccccc1)([n]1ccccc1)OC(=O)c1cc(C(=O)O[Zn]([n]2ccccc2)[n]2ccccc2)cc(c1)C(=O)O
• Title of publication: <i>catena</i>-Poly[[bis(pyridine-κ<i>N</i>)zinc]-μ-5-carboxybenzene-1,3-dicarboxylato-κ^2^<i>O</i>^1^:<i>O</i>^3^]
• Authors of publication: Yotnoi, Bunlawee; Rujiwatra, Apinpus
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: m345
• a: 13.485 ± 0.0004 Å
• b: 15.7677 ± 0.0004 Å
• c: 16.7252 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3556.24 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes