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Information card for entry 2206950
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| Coordinates | 2206950.cif |
|---|---|
| Structure factors | 2206950.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexakis(dimethyl sufoxide-κO)iron(III) tribromide |
|---|---|
| Formula | C12 H36 Br3 Fe O6 S6 |
| Calculated formula | C12 H36 Br3 Fe O6 S6 |
| SMILES | CS(C)=[O][Fe]([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[Br-].[Br-].[Br-] |
| Title of publication | Hexakis(dimethyl sufoxide-κ<i>O</i>)iron(III) tribromide |
| Authors of publication | Martínez-Alanis, Paulina R.; Toscano, Rubén A.; Castillo, Ivan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 10 |
| Pages of publication | m2179 - m2180 |
| a | 10.7528 ± 0.0007 Å |
| b | 10.7528 ± 0.0007 Å |
| c | 22.281 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2231 ± 0.4 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0333 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0668 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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