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Information card for entry 2241853
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| Coordinates | 2241853.cif |
|---|---|
| Structure factors | 2241853.hkl |
| Original IUCr paper | HTML |
| Chemical name | [<i>N</i>,<i>N</i>-Bis(2-hydroxyethyl)glycinato]chloridocobalt(II) |
|---|---|
| Formula | C6 H12 Cl Co N O4 |
| Calculated formula | C6 H12 Cl Co N O4 |
| SMILES | [Co]123(Cl)[OH]CC[N]3(CC[OH]1)CC(=O)O2 |
| Title of publication | Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on the <i>N</i>,<i>N</i>-bis(2-hydroxyethyl)glycine anion |
| Authors of publication | Zhou, Yanling; Liu, Xianrong; Wang, Qijun; Wang, Lisheng; Song, Baoling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 10 |
| Pages of publication | 1463 - 1467 |
| a | 8.3925 ± 0.0009 Å |
| b | 14.0939 ± 0.0015 Å |
| c | 15.8448 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1874.2 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.026 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186750 (current) | 2016-09-24 | cif/ hkl/ Adding structures of 2241853 via cif-deposit CGI script. |
2241853.cif 2241853.hkl |
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Users of the data should acknowledge the original authors of the
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