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Information card for entry 7044880
Preview
| Coordinates | 7044880.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | S140 |
|---|---|
| Formula | C48 H54 Co2 N6 Na2 O12 S2 |
| Calculated formula | C48 H54 Co2 N6 Na2 O12 S2 |
| SMILES | c12c(cccc1C=[N]1CC(C[N]3=Cc4c(c(ccc4)[O]4C)[O]5[Co]13([O]12)(N=C=S)OC(=[O]2)C)(C)C)[O](C)[Na]1245 |
| 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 | 13.5731 ± 0.0007 Å |
| b | 14.5632 ± 0.0007 Å |
| c | 13.562 ± 0.0007 Å |
| α | 90° |
| β | 112.101 ± 0.002° |
| γ | 90° |
| Cell volume | 2483.8 ± 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 | 0.0442 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0931 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| 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. |
7044880.cif |
| 229564 | 2019-11-17 | cif/ Updating files of 7044878, 7044879, 7044880 Original log message: Adding full bibliography for 7044878--7044880.cif. |
7044880.cif |
| 203663 | 2017-11-28 | cif/ Adding structures of 7044878, 7044879, 7044880 via cif-deposit CGI script. |
7044880.cif |
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Users of the data should acknowledge the original authors of the
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