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Information card for entry 7704835
Preview
| Coordinates | 7704835.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C27 H28 Cl2 Co N5 O10 |
|---|---|
| Calculated formula | C27 H28 Cl2 Co N5 O10 |
| SMILES | [Co]1234(OC(=O)[C@@H]([NH2]3)Cc3ccccc3)[n]3ccccc3C[N]4(Cc3[n]2cccc3)Cc2[n]1cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | Investigation of cobalt(III)-phenylalanine complexes for hypoxia-activated drug delivery. |
| Authors of publication | de Souza, Isabela Cristina Aguiar; Santana, Savyo de Souza; Gómez, Javier G; Guedes, Guilherme P.; Madureira, João; Quintal, Susana Maria de Ornelas; Lanznaster, Mauricio |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 45 |
| Pages of publication | 16425 - 16439 |
| a | 12.5779 ± 0.0003 Å |
| b | 15.3268 ± 0.0004 Å |
| c | 16.0033 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3085.1 ± 0.15 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 289.68 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0719 |
| Residual factor for significantly intense reflections | 0.0565 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1641 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7704835.cif |
| 260780 | 2021-01-07 | cif/ Updating files of 7704835, 7704836, 7704837, 7704838 Original log message: Adding full bibliography for 7704835--7704838.cif. |
7704835.cif |
| 254296 | 2020-07-15 | cif/ Adding structures of 7704835, 7704836, 7704837, 7704838 via cif-deposit CGI script. |
7704835.cif |
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Users of the data should acknowledge the original authors of the
structural data.