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Information card for entry 2022162
Preview
| Coordinates | 2022162.cif |
|---|---|
| Structure factors | 2022162.hkl |
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (<i>L</i>-Prolinato-κ^2^<i>N</i>,<i>O</i>)(triethylenetetramine-κ^4^<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')cobalt(III) chloride perchlorate |
|---|---|
| Formula | C10 H25 Cl2 Co N6 O7 |
| Calculated formula | C10 H25 Cl2 Co N6 O7 |
| SMILES | [Co]1234(OC(=O)C([NH2]4)CC(=O)N)[N](CC[NH2]1)(CC[NH2]2)CC[NH2]3.[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 | 11.5455 ± 0.0006 Å |
| b | 11.8865 ± 0.0006 Å |
| c | 25.3868 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3484 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173.15 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 | 0.0949 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0768 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| 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. |
2022162.cif 2022162.hkl |
| 252977 | 2020-06-06 | cif/ hkl/ Adding structures of 2022160, 2022161, 2022162 via cif-deposit CGI script. |
2022162.cif 2022162.hkl |
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Users of the data should acknowledge the original authors of the
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