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Information card for entry 2238279
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| Coordinates | 2238279.cif |
|---|---|
| Structure factors | 2238279.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[diaquatris(μ~2~-4,4'-bipyridine)bis[μ~2~-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate] |
|---|---|
| Formula | C46 H40.6 Co2 N8 O11.3 S2 |
| Calculated formula | C46 H38 Co2 N8 O11.3 S2 |
| Title of publication | Poly[[diaquatris(μ~2~-4,4'-bipyridine)bis[μ~2~-2-(carboxylatomethylsulfanyl)nicotinato]dicobalt(II)] 1.3-hydrate] |
| Authors of publication | Li, Rui-Qin; Wang, Xiao-Juan; Feng, Yun-Long |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 7 |
| Pages of publication | m371 |
| a | 10.2211 ± 0.0001 Å |
| b | 17.1355 ± 0.0002 Å |
| c | 16.4142 ± 0.0002 Å |
| α | 90° |
| β | 125.484 ± 0.001° |
| γ | 90° |
| Cell volume | 2340.92 ± 0.05 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0325 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0932 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181304 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/82. |
2238279.cif 2238279.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238279.cif 2238279.hkl |
| 88055 | 2013-08-28 | cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently. |
2238279.cif 2238279.hkl |
| 88054 | 2013-08-28 | cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data. |
2238279.cif 2238279.hkl |
| 87540 | 2013-08-27 | cif/ Adding structures of 2238279 via cif-deposit CGI script. |
2238279.cif |
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Users of the data should acknowledge the original authors of the
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