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Information card for entry 7055854
Preview
| Coordinates | 7055854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 Cu N2 O13 S |
|---|---|
| Calculated formula | C14 H19 Cu N2 O13 S |
| SMILES | [Cu]12([O]=c3c(C(=[O]1)O)ccc([nH]3)C)(OC(=O)c1c([nH]c(cc1)C)=[O]2)[OH2].S(=O)(=O)([O-])[O-].O.O |
| Title of publication | Molecular diversity in several pyridyl based Cu(ii) complexes: biophysical interaction and redox triggered fluorescence switch |
| Authors of publication | Adhikari, Sangita; Sahana, Animesh; Kumari, Babli; Ganguly, Durba; Das, Saurabh; Banerjee, Prajna Paramita; Banerjee, Gautam; Chattopadhyay, Ansuman; Fondo, Matilde; Matalobos, Jesús Sanmartín; Brandão, Paula; Félix, Vítor; Das, Debasis |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 12 |
| Pages of publication | 10378 |
| a | 8.7731 ± 0.0005 Å |
| b | 13.7449 ± 0.0007 Å |
| c | 16.6071 ± 0.0009 Å |
| α | 90° |
| β | 93.648 ± 0.002° |
| γ | 90° |
| Cell volume | 1998.52 ± 0.19 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0283 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0654 |
| Weighted residual factors for all reflections included in the refinement | 0.0664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| 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 |
|---|---|---|---|
| 190249 (current) | 2017-01-09 | cif/ Updating files of 7055852, 7055853, 7055854, 7055855 Original log message: Adding full bibliography for 7055852--7055855.cif. |
7055854.cif |
| 187716 | 2016-11-01 | cif/ Adding structures of 7055852, 7055853, 7055854, 7055855 via cif-deposit CGI script. |
7055854.cif |
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Users of the data should acknowledge the original authors of the
structural data.