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Information card for entry 7714458
Preview
| Coordinates | 7714458.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H24 Co N9 O10.5 |
|---|---|
| Calculated formula | C15 H24 Co N9 O10.5 |
| Title of publication | Study of paraCEST response on six-coordinated Co(II) and Ni(II) complexes of a pyridine-tetraamide-based ligand |
| Authors of publication | Panda, Suvam Kumar; Rai, Ankit; Singh, Akhilesh Kumar |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 9.863 ± 0.003 Å |
| b | 10.865 ± 0.003 Å |
| c | 12.144 ± 0.004 Å |
| α | 82.801 ± 0.009° |
| β | 67.95 ± 0.009° |
| γ | 71.802 ± 0.009° |
| Cell volume | 1145.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1361 |
| Residual factor for significantly intense reflections | 0.0634 |
| Weighted residual factors for significantly intense reflections | 0.171 |
| Weighted residual factors for all reflections included in the refinement | 0.2415 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.875 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 287596 (current) | 2023-11-15 | cif/ Adding structures of 7714458 via cif-deposit CGI script. |
7714458.cif |
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