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Information card for entry 2020773
Preview
| Coordinates | 2020773.cif |
|---|---|
| Structure factors | 2020773.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | Tris(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II) diacetate |
|---|---|
| Formula | C10 H30 Cu N6 O4 |
| Calculated formula | C10 H30 Cu N6 O4 |
| SMILES | [Cu]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[O-]C(=O)C.O=C([O-])C |
| Title of publication | The first-row transition-metal series of tris(ethylenediamine) diacetate complexes [<i>M</i>(en)~3~](OAc)~2~ (<i>M</i> is Mn, Fe, Co, Ni, Cu, and Zn) |
| Authors of publication | Pham, Duyen N. K.; Roy, Mrittika; Golen, James A.; Manke, David R. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 442 - 446 |
| a | 8.2953 ± 0.0008 Å |
| b | 8.9144 ± 0.0008 Å |
| c | 12.7148 ± 0.0012 Å |
| α | 75.244 ± 0.004° |
| β | 85.082 ± 0.004° |
| γ | 71.226 ± 0.004° |
| Cell volume | 860.84 ± 0.14 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.0296 |
| Residual factor for significantly intense reflections | 0.0245 |
| Weighted residual factors for significantly intense reflections | 0.0626 |
| Weighted residual factors for all reflections included in the refinement | 0.0653 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199068 (current) | 2017-07-25 | cif/ hkl/ Adding structures of 2020769, 2020770, 2020771, 2020772, 2020773, 2020774 via cif-deposit CGI script. |
2020773.cif 2020773.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.