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Information card for entry 2104914
Preview
| Coordinates | 2104914.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | hexaaquanickel(II) nitrate (15-crown-5) monohydrate |
|---|---|
| Formula | C10 H34 N2 Ni O18 |
| Calculated formula | C10 H34 N2 Ni O18 |
| Title of publication | Detailed study of the phase transition in [Ni(H~2~O)~6~](NO~3~)~2~·(15-crown-5)·H~2~O and analysis in terms of mean-field theory |
| Authors of publication | Siegler, Maxime A.; Parkin, Sean; Angel, Ross J.; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | 130 - 143 |
| a | 16.194 ± 0.002 Å |
| b | 16.533 ± 0.002 Å |
| c | 17.878 ± 0.002 Å |
| α | 90° |
| β | 106.4 ± 0.01° |
| γ | 90° |
| Cell volume | 4591.8 ± 1 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 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 | 0.0943 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0794 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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