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Information card for entry 7025462
Preview
| Coordinates | 7025462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H48 Cl2 Cr2 N8 O11 S8 |
|---|---|
| Calculated formula | C44 H48 Cl2 Cr2 N8 O11 S8 |
| SMILES | [Cr]123(OC(=N[N]3=C3SCCS3)c3c(O)cccc3)(OC(=N[N]2=C2SCCS2)c2c(O)cccc2)[O]([Cr]23(OC(=N[N]2=C2SCCS2)c2c(O)cccc2)(OC(=N[N]3=C2SCCS2)c2c(O)cccc2)[O]1C)C.OC.ClCCl |
| Title of publication | Novel Cr(III) dinuclear complexes supported by salicyloylhydrazono dithiolane and dithiane ligands: synthesis, stability, crystal structures and magnetic properties. |
| Authors of publication | Clément, Nicolas; Toussaint, Clément; Rogez, Guillaume; Loose, Claudia; Kortus, Jens; Brelot, Lydia; Choua, Sylvie; Dagorne, Samuel; Turek, Philippe; Welter, Richard |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 19 |
| Pages of publication | 4579 - 4585 |
| a | 16.735 ± 0.0003 Å |
| b | 15.78 ± 0.0003 Å |
| c | 21.314 ± 0.0003 Å |
| α | 90° |
| β | 105.472 ± 0.001° |
| γ | 90° |
| Cell volume | 5424.59 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0825 |
| Residual factor for significantly intense reflections | 0.063 |
| Weighted residual factors for significantly intense reflections | 0.1886 |
| Weighted residual factors for all reflections included in the refinement | 0.2125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7025462.cif |
| 179960 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/54. |
7025462.cif |
| 93059 | 2014-01-12 | cif/ Adding structures of 7025461, 7025462, 7025463 via cif-deposit CGI script. |
7025462.cif |
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