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Information card for entry 7706291
Preview
| Coordinates | 7706291.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C12 H12 Br2 Co N4 O2 S2 |
|---|---|
| Calculated formula | C12 H12 Br2 Co N4 O2 S2 |
| Title of publication | Thermodynamically metastable chain and stable layered Co(NCS)<sub>2</sub> coordination polymers: thermodynamic relations and magnetic properties. |
| Authors of publication | Jochim, Aleksej; Rams, Michał; Böhme, Michael; Ceglarska, Magdalena; Plass, Winfried; Näther, Christian |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 43 |
| Pages of publication | 15310 - 15322 |
| a | 10.6039 ± 0.0003 Å |
| b | 12.2963 ± 0.0005 Å |
| c | 7.5145 ± 0.0004 Å |
| α | 90° |
| β | 109.444 ± 0.003° |
| γ | 90° |
| Cell volume | 923.93 ± 0.07 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0419 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706291.cif |
| 260522 | 2021-01-05 | cif/ Adding structures of 7706290, 7706291, 7706292, 7706293, 7706294, 7706295 via cif-deposit CGI script. |
7706291.cif |
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Users of the data should acknowledge the original authors of the
structural data.