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Information card for entry 2105186
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| Coordinates | 2105186.cif |
|---|---|
| Structure factors | 2105186.hkl |
| Original IUCr paper | HTML |
| Chemical name | acetonitrilediaqual-κ^1^O-nitrato-κ^2^O-nitratonickel(II) (15-crown-5) acetonitrile solvate |
|---|---|
| Formula | C14 H30 N4 Ni O13 |
| Calculated formula | C14 H30 N4 Ni O13 |
| Title of publication | [Ni(MeCN)(H~2~O)~2~(NO~3~)~2~]·(15-crown-5)·MeCN: detailed study of a four-phase sequence that includes an intermediate modulated phase |
| Authors of publication | Siegler, Maxime A.; Parkin, Sean; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | 389 - 400 |
| a | 12.1709 ± 0.0002 Å |
| b | 12.2501 ± 0.0002 Å |
| c | 16.1777 ± 0.0003 Å |
| α | 90° |
| β | 105.425 ± 0.001° |
| γ | 90° |
| Cell volume | 2325.13 ± 0.07 Å3 |
| Cell temperature | 210 ± 2 K |
| Ambient diffraction temperature | 210 ± 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 | 0.1283 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1284 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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