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Information card for entry 7037763
Preview
| Coordinates | 7037763.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Aqua-bipyridine-(6-deoxy-5-oxytetracyclinato)copper(II)-nitrate- tetrahydrate |
|---|---|
| Formula | C32 H33 Cu N5 O12 |
| Calculated formula | C32 H33 Cu N5 O12 |
| SMILES | [Cu]12([n]3c(c4[n]2cccc4)cccc3)(OC2=C(C(=O)[C@H]([C@@H]3[C@@H](O)[C@@H]4[C@H](c5cccc(O)c5C(=O)C4=C(O)[C@]23O)C)N(C)C)C(=[O]1)N)[OH2].N(=O)(=O)[O-] |
| Title of publication | Copper(ii) mixed-ligand polypyridyl complexes with doxycycline - structures and biological evaluation. |
| Authors of publication | Abosede, Olufunso O.; Vyas, Nilima A.; Singh, Sushma B.; Kumbhar, Avinash S.; Kate, Anup; Kumbhar, Anupa A.; Khan, Ayesha; Erxleben, Andrea; Smith, Peter; de Kock, Carmen; Hoffmann, Frank; Obaleye, Joshua A. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 7 |
| Pages of publication | 3003 - 3012 |
| a | 10.2571 ± 0.0007 Å |
| b | 12.8336 ± 0.0008 Å |
| c | 28.5532 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3758.6 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0882 |
| Residual factor for significantly intense reflections | 0.0721 |
| Weighted residual factors for significantly intense reflections | 0.1935 |
| Weighted residual factors for all reflections included in the refinement | 0.2017 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7037763.cif |
| 177769 | 2016-03-05 | cif/ Updating files of 7037762, 7037763 Original log message: Adding full bibliography for 7037762--7037763.cif. |
7037763.cif |
| 171739 | 2015-12-25 | cif/ Adding structures of 7037762, 7037763 via cif-deposit CGI script. |
7037763.cif |
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