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Information card for entry 7025461
Preview
| Coordinates | 7025461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H31 Cr N6 O7 S6 |
|---|---|
| Calculated formula | C31 H31 Cr N6 O7 S6 |
| SMILES | [Cr]123(OC(=N[N]1=C1SCCS1)c1c(O)cccc1)(OC(=N[N]2=C1SCCS1)c1c(O)cccc1)OC(=N[N]3=C1SCCS1)c1c(O)cccc1.OC |
| 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 | 9.932 ± 0.002 Å |
| b | 12.037 ± 0.004 Å |
| c | 16.021 ± 0.005 Å |
| α | 80.157 ± 0.005° |
| β | 83.167 ± 0.005° |
| γ | 69.42° |
| Cell volume | 1763.1 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0716 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1345 |
| Weighted residual factors for all reflections included in the refinement | 0.1571 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| 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. |
7025461.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. |
7025461.cif |
| 93059 | 2014-01-12 | cif/ Adding structures of 7025461, 7025462, 7025463 via cif-deposit CGI script. |
7025461.cif |
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