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Information card for entry 7057333
Preview
| Coordinates | 7057333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H94 N8 Ni O8 |
|---|---|
| Calculated formula | C52 H94 N8 Ni O8 |
| Title of publication | EPR and electrochemical interpretation of bispyrazolylacetate anchored Ni(ii) and Mn(ii) complexes: cytotoxicity and anti-proliferative activity towards human cancer cell lines |
| Authors of publication | Das, Kuheli; Beyene, Belete B.; Datta, Amitabha; Garribba, Eugenio; Roma-Rodrigues, Catarina; Silva, Ana; Fernandes, Alexandra R.; Hung, Chen-Hsiung |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 11 |
| Pages of publication | 9126 |
| a | 20.3385 ± 0.0007 Å |
| b | 17.4098 ± 0.0006 Å |
| c | 18.5302 ± 0.0006 Å |
| α | 90° |
| β | 117.635 ± 0.002° |
| γ | 90° |
| Cell volume | 5812.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0418 |
| Weighted residual factors for significantly intense reflections | 0.0949 |
| Weighted residual factors for all reflections included in the refinement | 0.1038 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7057333.cif |
| 230535 | 2019-11-17 | cif/ Updating files of 7057333, 7057334 Original log message: Adding full bibliography for 7057333--7057334.cif. |
7057333.cif |
| 207456 | 2018-04-24 | cif/ Adding structures of 7057333, 7057334 via cif-deposit CGI script. |
7057333.cif |
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Users of the data should acknowledge the original authors of the
structural data.