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Information card for entry 2104240
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| Coordinates | 2104240.cif |
|---|---|
| Structure factors | 2104240.hkl |
| Original IUCr paper | HTML |
| Common name | diaqua(15-crown-5)nickel(II) nitrate |
|---|---|
| Formula | C10 H24 N2 Ni O13 |
| Calculated formula | C10 H24 N2 Ni O13 |
| Title of publication | The elusive [Ni(H~2~O)~2~(15-crown-5)]^2+^ cation and related co-crystals of nickel(II) hydrates and 15-crown-5 |
| Authors of publication | Siegler, Maxime A.; Parkin, Sean; Selegue, John P.; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2008 |
| Journal volume | 64 |
| Journal issue | 6 |
| Pages of publication | 725 - 737 |
| a | 14.676 ± 0.001 Å |
| b | 13.961 ± 0.001 Å |
| c | 25.552 ± 0.002 Å |
| α | 90° |
| β | 96.56 ± 0.01° |
| γ | 90° |
| Cell volume | 5201.1 ± 0.7 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0934 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.0852 |
| Weighted residual factors for all reflections included in the refinement | 0.1022 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
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