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Information card for entry 4030364
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| Coordinates | 4030364.cif |
|---|
| Formula | C41 H72 Fe3 N2 O9 S |
|---|---|
| Calculated formula | C9 Fe3 O9 S |
| SMILES | [Fe]12([Fe]3([Fe]1([S]23)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | The synthesis, structure and redox properties of the [Fe3(CO)9S]2- dianion |
| Authors of publication | Zhigui, Z.; Lixin, W.; Hengbin, Z.; Ling, Y.; Yuguo, F. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1991 |
| Journal volume | 28 |
| Pages of publication | 1269 - 1276 |
| a | 10.969 ± 0.002 Å |
| b | 12.472 ± 0.003 Å |
| c | 20.363 ± 0.005 Å |
| α | 100.89° |
| β | 97.12° |
| γ | 108.07° |
| Cell volume | 2550.5 ± 1 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.079 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4030364.cif |
| 128853 | 2014-12-19 | cif/ Adding structures of 4030364 via cif-deposit CGI script. |
4030364.cif |
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Users of the data should acknowledge the original authors of the
structural data.