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Information card for entry 1519668
Preview
| Coordinates | 1519668.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H26 Co N4 O14 S2 |
|---|---|
| Calculated formula | C36 H22 Co N4 O14 S2 |
| SMILES | [Co]12(OC(=O)c3c(S(=O)(=O)O1)cc(cc3)C(=O)[O-])(OC(=O)c1c(S(=O)(=O)O2)cc(cc1)C(=O)[O-])([n]1ccc(cc1)c1ccncc1)[n]1ccc(cc1)c1ccncc1 |
| Title of publication | Discrete and polymeric complexes formed from cobalt(ii), 4,4′-bipyridine and 2-sulfoterephthalate: synthetic, crystallographic and magnetic studies |
| Authors of publication | Datta, Amitabha; Massera, Chiara; Clegg, Jack K.; Aromí, Guillem; Aguilà, David; Huang, Jui-Hsien; Chuang, Sheng-Jie |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 4502 |
| a | 9.4916 ± 0.0005 Å |
| b | 9.5694 ± 0.0005 Å |
| c | 10.5062 ± 0.0005 Å |
| α | 105.776 ± 0.001° |
| β | 109.863 ± 0.001° |
| γ | 94.71 ± 0.001° |
| Cell volume | 847.49 ± 0.08 Å3 |
| Cell temperature | 190 ± 2 K |
| Ambient diffraction temperature | 190 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0424 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0956 |
| Weighted residual factors for all reflections included in the refinement | 0.1146 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.122 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
1519668.cif |
| 143402 | 2015-07-10 | cif/ Updating files of 1519665, 1519666, 1519667, 1519668, 1519669 Original log message: Adding full bibliography for 1519665--1519669.cif. |
1519668.cif |
| 136640 | 2015-05-16 | cif/ Adding structures of 1519665, 1519666, 1519667, 1519668, 1519669 via cif-deposit CGI script. |
1519668.cif |
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Users of the data should acknowledge the original authors of the
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