Information card for entry 2223691

Structure parameters

• Chemical name: <i>catena</i>-Poly[[(4-formylbenzoato-κ<i>O</i>^1^)(isonicotinamide- κ<i>N</i>^1^)zinc(II)]-μ-4-formylbenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^]
• Formula: C22 H16 N2 O7 Zn
• Calculated formula: C22 H16 N2 O7 Zn
• SMILES: [Zn](OC(=O)c1ccc(cc1)C=O)(OC(=O)c1ccc(cc1)C=O)([n]1ccc(cc1)C(=O)N)[O]=C(O[Zn](OC(=O)c1ccc(cc1)C=O)[n]1ccc(cc1)C(=O)N)c1ccc(cc1)C=O
• Title of publication: <i>catena</i>-Poly[[(4-formylbenzoato-κ<i>O</i>^1^)(isonicotinamide-κ<i>N</i>^1^)zinc(II)]-μ-4-formylbenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^]
• Authors of publication: Hökelek, Tuncer; Yılmaz, Filiz; Tercan, Barış; Sertçelik, Mustafa; Necefoğlu, Hacali
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: m1399 - m1400
• a: 13.3143 ± 0.0002 Å
• b: 6.7857 ± 0.0001 Å
• c: 21.3927 ± 0.0003 Å
• α: 90°
• β: 91.458 ± 0.001°
• γ: 90°
• Cell volume: 1932.14 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.035
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes