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Information card for entry 7045104
Preview
| Coordinates | 7045104.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H20 Co N14 Se2 |
|---|---|
| Calculated formula | C26 H20 Co N14 Se2 |
| SMILES | C(=N[Co]12(N=C=[Se])([n]3c(c4cccc[n]24)n(c(c2ccccn2)n3)N)[n]2c(c3cccc[n]13)n(c(c1ccccn1)n2)N)=[Se] |
| Title of publication | Effect of linear and non-linear pseudohalides on the structural and magnetic properties of Co(ii) hexacoordinate single-molecule magnets. |
| Authors of publication | Váhovská, L; Vitushkina, S.; Potočňák, I; Trávníček, Z; Herchel, R. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 5 |
| Pages of publication | 1498 - 1512 |
| a | 8.5646 ± 0.0004 Å |
| b | 10.1344 ± 0.0003 Å |
| c | 19.0783 ± 0.0008 Å |
| α | 90° |
| β | 119.986 ± 0.005° |
| γ | 90° |
| Cell volume | 1434.29 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.042 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0934 |
| 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. |
7045104.cif |
| 229473 | 2019-11-17 | cif/ Updating files of 7045101, 7045102, 7045103, 7045104, 7045105, 7045106 Original log message: Adding full bibliography for 7045101--7045106.cif. |
7045104.cif |
| 204387 | 2017-12-20 | cif/ Adding structures of 7045101, 7045102, 7045103, 7045104, 7045105, 7045106 via cif-deposit CGI script. |
7045104.cif |
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Users of the data should acknowledge the original authors of the
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