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Information card for entry 4509946
Preview
| Coordinates | 4509946.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H9 Cu N5 O5 |
|---|---|
| Calculated formula | C8 H9 Cu N5 O5 |
| Title of publication | Metallo-Supramolecular Structures by Self-Assembly through Weak Interactions in Mixed Ligand Metal Complexes of Adenine and Malonate |
| Authors of publication | El Bakkali, H.; Castiñeiras, A.; García-Santos, I.; González-Pérez, J. M.; Niclós-Gutiérrez, J. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 1 |
| Pages of publication | 249 |
| a | 9.793 ± 0.0005 Å |
| b | 14.477 ± 0.0007 Å |
| c | 7.6369 ± 0.0004 Å |
| α | 90° |
| β | 106.032 ± 0.003° |
| γ | 90° |
| Cell volume | 1040.6 ± 0.09 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 all reflections | 0.0313 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Weighted residual factors for all reflections included in the refinement | 0.0599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179635 (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 4/50/99. |
4509946.cif |
| 104143 | 2014-03-10 | cif/ Adding structures of 4509946 via cif-deposit CGI script. |
4509946.cif |
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Users of the data should acknowledge the original authors of the
structural data.