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Information card for entry 2104241
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| Coordinates | 2104241.cif |
|---|---|
| Structure factors | 2104241.hkl |
| Original IUCr paper | HTML |
| Chemical name | diaqua(15-crown-5)iron(II) nitrate |
|---|---|
| Formula | C10 H24 Fe N2 O13 |
| Calculated formula | C10 H24 Fe N2 O13 |
| Title of publication | Five more phases of the structural family [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ |
| Authors of publication | Siegler, Maxime A.; Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2008 |
| Journal volume | 64 |
| Journal issue | 6 |
| Pages of publication | 738 - 749 |
| a | 14.507 ± 0.002 Å |
| b | 14.226 ± 0.002 Å |
| c | 68.39 ± 0.006 Å |
| α | 90° |
| β | 96.23 ± 0.02° |
| γ | 90° |
| Cell volume | 14031 ± 3 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | B 1 21 1 |
| Hall space group symbol | P 2yb (1/2*x,y,-1/2*x+z) |
| Residual factor for all reflections | 0.0789 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1251 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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