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Information card for entry 7202197
Preview
| Coordinates | 7202197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H34 N2 O5 S17 |
|---|---|
| Calculated formula | C30 H34 N2 O5 S17 |
| SMILES | S(=O)(=O)([O-])CNC(=O)C1C([N](=O)C(C)(C)C1)(C)C.S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCCS2.S1C(SC2=C1SCCS2)=C1SC2=C(S1)SCCS2 |
| Title of publication | The first organic paramagnetic metal containing the aminoxyl radical |
| Authors of publication | Akutsu, Hiroki; Sato, Keiko; Yamashita, Shinji; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S. |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2008 |
| Journal volume | 18 |
| Journal issue | 28 |
| Pages of publication | 3313 |
| a | 12.436 ± 0.004 Å |
| b | 19.528 ± 0.006 Å |
| c | 9.326 ± 0.003 Å |
| α | 97.06 ± 0.03° |
| β | 110.22 ± 0.03° |
| γ | 83.44 ± 0.03° |
| Cell volume | 2102.9 ± 1.2 Å3 |
| Cell temperature | 295.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for all reflections included in the refinement | 0.0676 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7202197.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7202197.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202197.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202197.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7202197.cif |
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