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Information card for entry 7227850
Preview
| Coordinates | 7227850.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H20 Cl2 N2 O2 Ru S2 |
|---|---|
| Calculated formula | C14 H20 Cl2 N2 O2 Ru S2 |
| SMILES | [Ru]1([S](=O)(C)C)([S](=O)(C)C)(Cl)(Cl)[n]2ccccc2c2[n]1cccc2 |
| Title of publication | The effect of incorporating carboxylic acid functionalities into 2,2′-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity |
| Authors of publication | Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Ashok Kumar, Sarvana Loganthan; Jung, Jang Yoon; Puschmann, Horst; Fronczek, Frank R.; Natarajan, Karuppannan |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 27 |
| Pages of publication | 16428 |
| a | 27.7264 ± 0.0007 Å |
| b | 7.7631 ± 0.0003 Å |
| c | 16.5025 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3552 ± 0.2 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 393.15 K |
| Number of distinct elements | 7 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0324 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0743 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7227850.cif |
| 194249 | 2017-03-15 | cif/ Adding structures of 7227849, 7227850 via cif-deposit CGI script. |
7227850.cif |
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Users of the data should acknowledge the original authors of the
structural data.