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Information card for entry 7044878
Preview
| Coordinates | 7044878.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | S128 |
|---|---|
| Formula | C25 H30 Co N4 Na O5 S2 |
| Calculated formula | C25 H30 Co N4 Na O5 S2 |
| SMILES | [Co]123([O]4[Na]56([O]1c1c([O]5CC)cccc1C=[N]2CC(C[N]3=Cc1c4c([O]6CC)ccc1)(C)C)[OH2])(N=C=S)N=C=S |
| Title of publication | Heteronuclear cobalt(iii)/sodium complexes with salen type compartmental Schiff base ligands: methylene spacer regulated variation in nuclearity. |
| Authors of publication | Ghosh, Kousik; Harms, Klaus; Bauzá, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 2 |
| Pages of publication | 331 - 347 |
| a | 10.5459 ± 0.0005 Å |
| b | 24.9707 ± 0.0011 Å |
| c | 10.515 ± 0.0005 Å |
| α | 90° |
| β | 94.084 ± 0.002° |
| γ | 90° |
| Cell volume | 2762 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0304 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0617 |
| Weighted residual factors for all reflections included in the refinement | 0.0637 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7044878.cif |
| 229564 | 2019-11-17 | cif/ Updating files of 7044878, 7044879, 7044880 Original log message: Adding full bibliography for 7044878--7044880.cif. |
7044878.cif |
| 203663 | 2017-11-28 | cif/ Adding structures of 7044878, 7044879, 7044880 via cif-deposit CGI script. |
7044878.cif |
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Users of the data should acknowledge the original authors of the
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