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Information card for entry 2100292
Preview
| Coordinates | 2100292.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | diaqua(15-crown-5)copper(II) nitrate |
|---|---|
| Formula | C10 H24 Cu N2 O13 |
| Calculated formula | C10 H24 Cu N2 O13 |
| SMILES | [Cu]1234([O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)([OH2])[OH2].N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Three modulation patterns in four related [<i>M</i>(H~2~O)~2~(15-crown-5)](NO~3~)~2~ structures |
| Authors of publication | Hao, Xiang; Parkin, Sean; Brock, Carolyn Pratt |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 6 |
| Pages of publication | 675 - 688 |
| a | 14.772 ± 0.003 Å |
| b | 13.987 ± 0.003 Å |
| c | 43.344 ± 0.009 Å |
| α | 90° |
| β | 97.33 ± 0.03° |
| γ | 90° |
| Cell volume | 8882 ± 3 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 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 | 0.248 |
| Residual factor for significantly intense reflections | 0.055 |
| Weighted residual factors for significantly intense reflections | 0.134 |
| Weighted residual factors for all reflections included in the refinement | 0.2084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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