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Information card for entry 7250374
Preview
| Coordinates | 7250374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H39 Cl0 Co2 N6 O5 S4 |
|---|---|
| Calculated formula | C27 H39 Co2 N6 O5 S4 |
| Title of publication | Synthesis, structural characterization, and DFT investigation of a mixed-valence Co(iii)/Co(ii) complex stabilized by supramolecular interactions |
| Authors of publication | Bera, Susovan; Bhunia, Sudip; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik |
| Journal of publication | RSC Advances |
| Year of publication | 2025 |
| Journal volume | 15 |
| Journal issue | 20 |
| Pages of publication | 15530 - 15538 |
| a | 14.7901 ± 0.0013 Å |
| b | 15.1095 ± 0.0012 Å |
| c | 16.3477 ± 0.0014 Å |
| α | 90° |
| β | 105.661 ± 0.003° |
| γ | 90° |
| Cell volume | 3517.6 ± 0.5 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1303 |
| Residual factor for significantly intense reflections | 0.0778 |
| Weighted residual factors for significantly intense reflections | 0.1817 |
| Weighted residual factors for all reflections included in the refinement | 0.2126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299625 (current) | 2025-05-13 | cif/ Adding structures of 7250374 via cif-deposit CGI script. |
7250374.cif |
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