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Information card for entry 2240646
Preview
| Coordinates | 2240646.cif |
|---|---|
| Structure factors | 2240646.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[[tetraaquazinc(II)]-μ-1,4-bis[4-(1<i>H</i>-imidazol-1-yl)benzoyl]piperazine] dinitrate monohydrate] |
|---|---|
| Formula | C24 H34 N8 O14 Zn |
| Calculated formula | C24 H34 N8 O14 Zn |
| SMILES | [Zn]([OH2])([OH2])([OH2])([OH2])([n]1cn(cc1)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c2ccc(cc2)n3c[n](cc3)[Zn]([OH2])([OH2])([OH2])[OH2])[n]1cn(cc1)c1ccc(cc1)C(=O)N1CCN(C(=O)c2ccc(n3cncc3)cc2)CC1.O=N(=O)[O-].O.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].O.O.O |
| Title of publication | Crystal structure of <i>catena</i>-poly[[[tetraaquazinc(II)]-μ-1,4-bis[4-(1<i>H</i>-imidazol-1-yl)benzoyl]piperazine] dinitrate monohydrate] |
| Authors of publication | Hou, Chen; Gan, Hong-Mei; Liu, Jia-Cheng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 5 |
| Pages of publication | m120 - m121 |
| a | 22.051 ± 0.004 Å |
| b | 7.8861 ± 0.0016 Å |
| c | 17.837 ± 0.004 Å |
| α | 90° |
| β | 102.65 ± 0.03° |
| γ | 90° |
| Cell volume | 3026.5 ± 1.1 Å3 |
| 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 | 0.0691 |
| Residual factor for significantly intense reflections | 0.0551 |
| Weighted residual factors for significantly intense reflections | 0.1313 |
| Weighted residual factors for all reflections included in the refinement | 0.1436 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181906 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/06 |
2240646.cif 2240646.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240646.cif 2240646.hkl |
| 136436 | 2015-05-13 | cif/ hkl/ Adding structures of 2240646 via cif-deposit CGI script. |
2240646.cif 2240646.hkl |
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Users of the data should acknowledge the original authors of the
structural data.