Information card for entry 2240575

Structure parameters

• Chemical name: Poly[bis(μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>)bis(μ-4-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)zinc]
• Formula: C26 H20 N6 O10 Zn
• Calculated formula: C26 H20 N6 O10 Zn
• SMILES: [Zn]12(OC(=O)c3ccc(N(=O)=O)cc3)([O]=C(O[Zn](OC(=O)c3ccc(N(=O)=O)cc3)([O]=C(O1)c1ccc(N(=O)=O)cc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N)c1ccc(N(=O)=O)cc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=[O][Zn]1(OC(=O)c3ccc(N(=O)=O)cc3)(OC(=[O][Zn](OC(=O)c3ccc(N(=O)=O)cc3)(OC(=[O]1)c1ccc(N(=O)=O)cc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=O)N)c1ccc(N(=O)=O)cc1)([n]1cc(ccc1)C(=O)N)[n]1cc(ccc1)C(=[O]2)N)N
• Title of publication: Crystal structure of poly[bis(μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>)bis(μ-4-nitrobenzoato-κ^2^<i>O</i>^1^:<i>O</i>^1'^)zinc]
• Authors of publication: Aşkın, Gülçin Şefiye; Necefoğlu, Hacali; Tonbul, Ali Murat; Dilek, Nefise; Hökelek, Tuncer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 5
• Pages of publication: 479 - 482
• a: 9.5118 ± 0.0003 Å
• b: 10.5591 ± 0.0003 Å
• c: 14.5326 ± 0.0005 Å
• α: 109.846 ± 0.004°
• β: 93.618 ± 0.003°
• γ: 104.815 ± 0.004°
• Cell volume: 1309.11 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes