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Information card for entry 4338500
Preview
| Coordinates | 4338500.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H20 Co N18 |
|---|---|
| Calculated formula | C32 H20 Co N18 |
| SMILES | C(=C(C#N)C#N)=N[Co]12([n]3nc(n(c3c3cccc[n]13)N)c1ccccn1)(N=C=C(C#N)C#N)[n]1c(n(c(n1)c1ccccn1)N)c1cccc[n]21 |
| Title of publication | Slow Magnetic Relaxation in Octahedral Cobalt(II) Field-Induced Single-Ion Magnet with Positive Axial and Large Rhombic Anisotropy. |
| Authors of publication | Herchel, Radovan; Váhovská, Lucia; Potočňák, Ivan; Trávníček, Zdeněk |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 12 |
| Pages of publication | 5896 - 5898 |
| a | 9.2021 ± 0.0002 Å |
| b | 9.3522 ± 0.0003 Å |
| c | 9.9504 ± 0.0003 Å |
| α | 68.181 ± 0.003° |
| β | 87.493 ± 0.002° |
| γ | 87.47 ± 0.002° |
| Cell volume | 793.87 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0485 |
| Residual factor for significantly intense reflections | 0.0364 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0879 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338500.cif |
| 179488 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85. |
4338500.cif |
| 119088 | 2014-07-05 | cif/ Updating files of 4338500 Original log message: Adding full bibliography for 4338500.cif. |
4338500.cif |
| 114379 | 2014-05-24 | cif/ Adding structures of 4338500 via cif-deposit CGI script. |
4338500.cif |
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