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Information card for entry 2012870
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| Coordinates | 2012870.cif |
|---|---|
| Structure factors | 2012870.hkl |
| Original IUCr paper | HTML |
| Chemical name | catena-diaqua-dichloro-(μ-1,4-dioxane-O,O')-iron(II) |
|---|---|
| Formula | C4 H12 Cl2 Fe O4 |
| Calculated formula | C4 H12 Cl2 Fe O4 |
| SMILES | [Fe](Cl)(Cl)([OH2])([OH2])[O]1CC[O](CC1)[Fe](Cl)(Cl)([O]1CCOCC1)([OH2])[OH2] |
| Title of publication | <i>catena</i>-Poly[[diaquadichloroiron(II)]-μ-1,4-dioxane-κ^2^<i>O</i>:<i>O</i>'] |
| Authors of publication | Speer Jr, Richard L.; Pinkerton, A. Alan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2002 |
| Journal volume | 58 |
| Journal issue | 8 |
| Pages of publication | m441 - m442 |
| a | 6.859 ± 0.0018 Å |
| b | 9.273 ± 0.002 Å |
| c | 7.925 ± 0.002 Å |
| α | 90° |
| β | 114.082 ± 0.005° |
| γ | 90° |
| Cell volume | 460.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0381 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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