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Information card for entry 2241248
Preview
| Coordinates | 2241248.cif |
|---|---|
| Structure factors | 2241248.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycinato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]cobalt(II) monohydrate |
|---|---|
| Formula | C12 H26 Co N2 O9 |
| Calculated formula | C12 H26 Co N2 O9 |
| SMILES | C1(=O)C[N]2(CC[OH][Co]342([N](CC(=O)O3)(CCO)CC[OH]4)O1)CCO.O |
| Title of publication | Crystal structure of bis[<i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycinato-κ^3^<i>O</i>^1^,<i>N</i>,<i>O</i>^2^]cobalt(II) monohydrate |
| Authors of publication | Liu, Yang; Zhou, Dan; Liu, Hai-Hui; He, Chen-Cong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 11 |
| Pages of publication | m199 - m200 |
| a | 19.274 ± 0.003 Å |
| b | 12.0033 ± 0.0017 Å |
| c | 7.196 ± 0.001 Å |
| α | 90° |
| β | 100.081 ± 0.002° |
| γ | 90° |
| Cell volume | 1639.1 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.047 |
| Residual factor for significantly intense reflections | 0.0367 |
| Weighted residual factors for significantly intense reflections | 0.0991 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181913 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/12. |
2241248.cif 2241248.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. |
2241248.cif 2241248.hkl |
| 169841 | 2015-10-29 | cif/ hkl/ Adding structures of 2241248 via cif-deposit CGI script. |
2241248.cif 2241248.hkl |
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Users of the data should acknowledge the original authors of the
structural data.