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Information card for entry 7707726
Preview
| Coordinates | 7707726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H8 Cl2 Co N2 S2 |
|---|---|
| Calculated formula | C10 H8 Cl2 Co N2 S2 |
| SMILES | [Co]1(Cl)(Cl)[n]2ccccc2SSc2[n]1cccc2 |
| Title of publication | Building-up host-guest helicate motifs and chains: a magneto-structural study of new field-induced cobalt-based single-ion magnets. |
| Authors of publication | de Campos, Nathália R; Simosono, Cintia A.; Landre Rosa, Iara M.; da Silva, Rafaela M. R.; Doriguetto, Antônio C; do Pim, Walace D.; Gomes Simões, Tatiana R; Valdo, Ana Karoline S. M.; Martins, Felipe T.; Sarmiento, Charlie V.; Nunes, Wallace C.; Guedes, Guilherme P.; Pedroso, Emerson F.; Pereira, Cynthia L. M.; Stumpf, Humberto O.; Lloret, Francesc; Julve, Miguel; Marinho, Maria Vanda |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 31 |
| Pages of publication | 10707 - 10728 |
| a | 7.815 ± 0.004 Å |
| b | 8.146 ± 0.004 Å |
| c | 12.074 ± 0.005 Å |
| α | 94.45 ± 0.02° |
| β | 107.185 ± 0.015° |
| γ | 114.89 ± 0.019° |
| Cell volume | 647.8 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0339 |
| Residual factor for significantly intense reflections | 0.0266 |
| Weighted residual factors for significantly intense reflections | 0.0648 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268791 (current) | 2021-09-06 | cif/ Updating files of 7707725, 7707726, 7707727, 7707728, 7707729 Original log message: Adding full bibliography for 7707725--7707729.cif. |
7707726.cif |
| 266763 | 2021-06-29 | cif/ Adding structures of 7707725, 7707726, 7707727, 7707728, 7707729 via cif-deposit CGI script. |
7707726.cif |
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Users of the data should acknowledge the original authors of the
structural data.