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Information card for entry 2022161
Preview
| Coordinates | 2022161.cif |
|---|---|
| Structure factors | 2022161.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (<i>L</i>-Asparaginato-κ^2^<i>N</i>,<i>O</i>)[tris(2-aminoethyl)amine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''']cobalt(III) chloride perchlorate |
|---|---|
| Formula | C11 H24 Cl2 Co N5 O6 |
| Calculated formula | C11 H24 Cl2 Co N5 O6 |
| SMILES | [Co]1234(OC(=O)C5=[N]1CCC5)[NH2]CC[NH]4CC[NH]3CC[NH2]2.[Cl-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Reactivity trends of cobalt(III) complexes towards various amino acids based on the properties of the amino acid alkyl chains |
| Authors of publication | Arderne, Charmaine; Batchelor, Kyle Fraser; Uprety, Bhawna; Chandran, Rahul; Abrahamse, Heidi |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 7 |
| a | 13.6098 ± 0.0014 Å |
| b | 11.1177 ± 0.0011 Å |
| c | 13.6429 ± 0.0014 Å |
| α | 90° |
| β | 118.651 ± 0.002° |
| γ | 90° |
| Cell volume | 1811.5 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.01 K |
| Number of distinct elements | 6 |
| 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 | 0.0435 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0953 |
| Weighted residual factors for all reflections included in the refinement | 0.0987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| 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. |
2022161.cif 2022161.hkl |
| 252977 | 2020-06-06 | cif/ hkl/ Adding structures of 2022160, 2022161, 2022162 via cif-deposit CGI script. |
2022161.cif 2022161.hkl |
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Users of the data should acknowledge the original authors of the
structural data.