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Information card for entry 2011089
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| Coordinates | 2011089.cif |
|---|---|
| Structure factors | 2011089.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua(5,6-dimethyl-1,10-phenanthroline)(glycolato)copper(II) nitrate |
|---|---|
| Formula | C16 H17 Cu N3 O7 |
| Calculated formula | C16 H17 Cu N3 O7 |
| SMILES | [Cu]15([OH2])([n]2cccc3c(c(c4ccc[n]1c4c23)C)C)OC(=O)C[OH]5.N(=O)(=O)[O-] |
| Title of publication | Aqua(5,6-dimethyl-1,10-phenanthroline-<i>N</i>,<i>N</i>')(glycolato-<i>O</i>,<i>O</i>')copper(II) nitrate |
| Authors of publication | Medina, Gerardo; Gasque, Laura; Bernès, Sylvain |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 7 |
| Pages of publication | 766 - 768 |
| a | 7.0373 ± 0.0007 Å |
| b | 10.0928 ± 0.0011 Å |
| c | 13.1649 ± 0.0013 Å |
| α | 103.225 ± 0.008° |
| β | 105.45 ± 0.012° |
| γ | 103.76 ± 0.009° |
| Cell volume | 831.68 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0429 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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