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Information card for entry 2021829
Preview
| Coordinates | 2021829.cif |
|---|---|
| Structure factors | 2021829.hkl |
| Original IUCr paper | HTML |
| Chemical name | {μ-3-[(Carboxylatomethyl)sulfanyl]-5-(pyridin-2-yl)-4<i>H</i>-1,2,4-triazol-4-ido-κ^2^<i>N</i>^1^,<i>N</i>^5^:<i>N</i>^2^,<i>O</i>}bis[aqua(methanol-κ<i>O</i>)cobalt(II)] methanol disolvate |
|---|---|
| Formula | C11 H16 Co N4 O5 S |
| Calculated formula | C11 H16 Co N4 O5 S |
| Title of publication | Dinuclear cobalt and nickel complexes of a mercaptoacetic acid substituted 1,2,4-triazole ligand: syntheses, structures and urease inhibitory studies |
| Authors of publication | Fang, Zi-Yi; Zhang, Li; Ma, Jian-Ping; Zhao, Long; Wang, Shi-Ling; Xie, Nan-Hua; Liu, Yi-Qin; Guo, Xiao-Ying; Qin, Jie |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 12 |
| a | 9.5941 ± 0.0005 Å |
| b | 14.9735 ± 0.0005 Å |
| c | 10.7212 ± 0.0005 Å |
| α | 90° |
| β | 105.719 ± 0.005° |
| γ | 90° |
| Cell volume | 1482.58 ± 0.12 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 all reflections | 0.055 |
| Residual factor for significantly intense reflections | 0.0378 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.0997 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242989 (current) | 2019-11-26 | cif/ hkl/ Adding structures of 2021829, 2021830 via cif-deposit CGI script. |
2021829.cif 2021829.hkl |
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Users of the data should acknowledge the original authors of the
structural data.