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Information card for entry 2241015
Preview
| Coordinates | 2241015.cif |
|---|---|
| Structure factors | 2241015.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[hexaqua-1κ^4^<i>O</i>,2κ^2^<i>O</i>-bis(μ~3~-pyridine-2,4-dicarboxylato-1κ^4^<i>O</i>^2^:2κ^2^<i>N</i>,<i>O</i>^2'^;1'κ<i>O</i>^4^)cobalt(II)strontium(II)] dihydrate] |
|---|---|
| Formula | C14 H22 Co N2 O16 Sr |
| Calculated formula | C14 H22 Co N2 O16 Sr |
| SMILES | c12C(=O)O[Co]3([n]2ccc(c1)C(=O)[O-])([n]1c(cc(cc1)C(=O)[O-])C(=O)O3)([OH2])[OH2].[Sr+2].O.O.O.O.O.O |
| Title of publication | Crystal structure of poly[[hexaqua-1κ^4^<i>O</i>,2κ^2^<i>O</i>-bis(μ~3~-pyridine-2,4-dicarboxylato-1κ<i>O</i>^2^:2κ^2^<i>N</i>,<i>O</i>^2'^;1'κ<i>O</i>^4^)cobalt(II)strontium(II)] dihydrate] |
| Authors of publication | Yu, Zhaojun; Jiang, Peng; Chen, Yanmei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | m167 - m168 |
| a | 18.628 ± 0.004 Å |
| b | 6.8742 ± 0.0014 Å |
| c | 19.101 ± 0.004 Å |
| α | 90° |
| β | 118.77 ± 0.03° |
| γ | 90° |
| Cell volume | 2144 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0216 |
| Residual factor for significantly intense reflections | 0.0197 |
| Weighted residual factors for significantly intense reflections | 0.0538 |
| Weighted residual factors for all reflections included in the refinement | 0.0551 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241015.cif 2241015.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. |
2241015.cif 2241015.hkl |
| 153462 | 2015-08-16 | cif/ hkl/ Adding structures of 2241015 via cif-deposit CGI script. |
2241015.cif 2241015.hkl |
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Users of the data should acknowledge the original authors of the
structural data.