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Information card for entry 7057334
Preview
| Coordinates | 7057334.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C51 H96 Mn N8 O10 |
|---|---|
| Calculated formula | C51 H96 Mn N8 O10 |
| 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 | 11.7263 ± 0.0004 Å |
| b | 16.4104 ± 0.0006 Å |
| c | 17.1352 ± 0.0006 Å |
| α | 66.452 ± 0.002° |
| β | 79.714 ± 0.002° |
| γ | 79.713 ± 0.002° |
| Cell volume | 2953.12 ± 0.19 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| 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 | 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. |
7057334.cif |
| 230535 | 2019-11-17 | cif/ Updating files of 7057333, 7057334 Original log message: Adding full bibliography for 7057333--7057334.cif. |
7057334.cif |
| 207456 | 2018-04-24 | cif/ Adding structures of 7057333, 7057334 via cif-deposit CGI script. |
7057334.cif |
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Users of the data should acknowledge the original authors of the
structural data.