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Information card for entry 2011056
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| Coordinates | 2011056.cif |
|---|---|
| Structure factors | 2011056.hkl |
| Original IUCr paper | HTML |
| Common name | rinneite |
|---|---|
| Chemical name | tripotassium sodium hexachloroferrate(II) |
| Formula | Cl6 Fe K3 Na |
| Calculated formula | Cl6 Fe K3 Na |
| SMILES | [Fe](Cl)(Cl)([Cl-])([Cl-])([Cl-])[Cl-].[K+].[K+].[K+].[Na+] |
| Title of publication | Rinneite, K~3~Na[FeCl~6~], at 293, 84 and 9.5K |
| Authors of publication | Figgis, Brian N.; Sobolev, Alexandre N.; Kucharski, Edward S.; Broughton, Vanessa |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 6 |
| Pages of publication | e228 - e229 |
| a | 12.033 ± 0.002 Å |
| b | 12.033 ± 0.002 Å |
| c | 13.863 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1738.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Residual factor for all reflections | 0.017 |
| Residual factor for significantly intense reflections | 0.017 |
| Weighted residual factors for all reflections included in the refinement | 0.031 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.623 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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