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Information card for entry 2008089
Preview
| Coordinates | 2008089.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Polymeric aqua(N-ethylurea-O)(N-pyruvidene-β-alaninato-O,N,O')copper(II) |
|---|---|
| Formula | C9 H17 Cu N3 O6 |
| Calculated formula | C9 H17 Cu N3 O6 |
| SMILES | [Cu]12(OC(=O)C(=[N]1CCC(=O)O2)C)([OH2])[O]=C1O[Cu]2([OH2])OC(=O)C(=[N]2CC1)C.NC(=O)NCC.NC(=O)NCC |
| Title of publication | Polymeric aqua(<i>N</i>-ethylurea-<i>O</i>)(<i>N</i>-pyruvidene-β-alaninato-<i>O</i>,<i>N</i>,<i>O</i>')copper(II) |
| Authors of publication | Warda, Salam A. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 1 |
| Pages of publication | 52 - 54 |
| a | 15.0798 ± 0.0016 Å |
| b | 7.5653 ± 0.0005 Å |
| c | 12.6522 ± 0.0014 Å |
| α | 90° |
| β | 114.212 ± 0.011° |
| γ | 90° |
| Cell volume | 1316.4 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 significantly intense reflections | 0.029 |
| Weighted residual factors for all reflections included in the refinement | 0.059 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.903 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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