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Information card for entry 7061537
Preview
| Coordinates | 7061537.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H28 Co N8 O4 S2 |
|---|---|
| Calculated formula | C26 H28 Co N8 O4 S2 |
| Title of publication | In vitro and In silico anticancer activities of Mn(ii), Co(ii), and Ni(ii) complexes: synthesis, characterization, crystal structures, and DFT studies |
| Authors of publication | Gond, M. K.; Pandey, Shivendra Kumar; Singh, R.; Bharty, Manoj K.; Manna, Partha Pratim; Singh, V. K.; Maiti, B.; Prasad, L. B.; Butcher, R. J. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2022 |
| a | 25.943 ± 0.002 Å |
| b | 8.5434 ± 0.0006 Å |
| c | 15.744 ± 0.0013 Å |
| α | 90° |
| β | 122.865 ± 0.003° |
| γ | 90° |
| Cell volume | 2931 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1307 |
| Residual factor for significantly intense reflections | 0.0625 |
| Weighted residual factors for significantly intense reflections | 0.1428 |
| Weighted residual factors for all reflections included in the refinement | 0.1919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 275618 (current) | 2022-05-24 | cif/ Adding structures of 7061537, 7061538, 7061539 via cif-deposit CGI script. |
7061537.cif |
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