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Information card for entry 4503419
Preview
| Coordinates | 4503419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 Cu N3 O6 |
|---|---|
| Calculated formula | C13 H15 Cu N3 O6 |
| SMILES | [Cu]12(OC(=O)CC(=O)O1)([n]1ccccc1Nc1[n]2cccc1)[OH2].O |
| Title of publication | Supramolecular Networks in Copper(II) Malonate Complexes |
| Authors of publication | Delgado, Fernando S.; Lahoz, Fernando; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 9 |
| Pages of publication | 3219 |
| a | 7.2233 ± 0.0005 Å |
| b | 9.617 ± 0.0005 Å |
| c | 11.4125 ± 0.0009 Å |
| α | 87.67 ± 0.006° |
| β | 71.7 ± 0.006° |
| γ | 74.751 ± 0.005° |
| Cell volume | 725.43 ± 0.09 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0775 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179565 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/34. |
4503419.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503419.cif |
| 41536 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503419 via cif-deposit CGI script. |
4503419.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.