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Information card for entry 2020907
Preview
| Coordinates | 2020907.cif |
|---|---|
| Structure factors | 2020907.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (μ-5-Amino-1,2,4-triazol-1-ide-3-carboxylato-κ^2^<i>N</i>^1^:<i>N</i>^2^)di-μ-hydroxido-κ^4^<i>O</i>:<i>O</i>-bis[triamminecobalt(III)] nitrate hydroxide trihydrate |
|---|---|
| Formula | C3 H29 Co2 N11 O11 |
| Calculated formula | C3 H29 Co2 N11 O11 |
| SMILES | [Co]12(n3[n]([Co]([NH3])([NH3])([NH3])([OH]1)[OH]2)c(nc3N)C(=O)[O-])([NH3])([NH3])[NH3].N(=O)(=O)[O-].O.O.O.[OH-] |
| Title of publication | Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid |
| Authors of publication | Liu, Feng-Yi; Zhou, Dong-Mei; Zhao, Xiao-Lan; Kou, Jun-Feng |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 11 |
| Pages of publication | 1010 - 1016 |
| a | 7.0765 ± 0.0014 Å |
| b | 12.676 ± 0.003 Å |
| c | 20.591 ± 0.004 Å |
| α | 90° |
| β | 98.7 ± 0.03° |
| γ | 90° |
| Cell volume | 1825.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0338 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020907.cif 2020907.hkl |
| 205307 | 2018-01-17 | cif/ hkl/ Adding structures of 2020905, 2020906, 2020907 via cif-deposit CGI script. |
2020907.cif 2020907.hkl |
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