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Information card for entry 7052676
Preview
| Coordinates | 7052676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H20 Cu N2 O2 |
|---|---|
| Calculated formula | C20 H20 Cu N2 O2 |
| SMILES | [Cu]12(Oc3ccccc3C=[N]1CC=C)Oc1ccccc1C=[N]2CC=C |
| Title of publication | Plasma deposited metal Schiff-base compounds as antimicrobials |
| Authors of publication | Poulter, Neil; Donaldson, Matthew; Mulley, Geraldine; Duque, Luis; Waterfield, Nicholas; Shard, Alex G.; Spencer, Steve; Jenkins, A. Tobias A.; Johnson, Andrew L. |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2011 |
| Journal volume | 35 |
| Journal issue | 7 |
| Pages of publication | 1477 |
| a | 10.713 ± 0.0002 Å |
| b | 7.356 ± 0.0001 Å |
| c | 22.324 ± 0.0004 Å |
| α | 90° |
| β | 102.898 ± 0.001° |
| γ | 90° |
| Cell volume | 1714.85 ± 0.05 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0439 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7052676.cif |
| 180080 | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/26. |
7052676.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7052676.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7052676.cif |
| 23724 | 2011-08-09 | ../uploads/cif-deposit/cod/cif Adding structures of 7052675, 7052676 via cif-deposit CGI script. |
7052676.cif |
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Users of the data should acknowledge the original authors of the
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