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Information card for entry 2240575
Preview
| Coordinates | 2240575.cif |
|---|---|
| Structure factors | 2240575.hkl |
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181905 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/05 |
2240575.cif 2240575.hkl |
| 136371 | 2015-05-13 | cif/ hkl/ Adding structures of 2240575 via cif-deposit CGI script. |
2240575.cif 2240575.hkl |
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Users of the data should acknowledge the original authors of the
structural data.