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Information card for entry 7705170
Preview
| Coordinates | 7705170.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H45 Cl2 F6 Fe N2 O5 P4 Ru |
|---|---|
| Calculated formula | C59 H48 Cl4 F6 Fe N3 O2 P3 Ru |
| SMILES | [Ru]123([P]([c]45[Fe]6789%10%11%12([c]%13([P]1(c1ccccc1)c1ccccc1)[cH]8[cH]7[cH]9[cH]%10%13)[cH]([cH]6[cH]4%12)[cH]5%11)(c1ccccc1)c1ccccc1)([O]=C(O2)Cc1c(Nc2c(Cl)cccc2Cl)cccc1)[n]1c(c2[n]3cccc2)cccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl |
| Title of publication | Ru(II)/diclofenac-based complexes: DNA, BSA interaction and their anticancer evaluation against lung and breast tumor cells. |
| Authors of publication | Oliveira, Katia M.; Honorato, João; Gonçalves, Guilherme R; Cominetti, Marcia R.; Batista, Alzir A.; Correa, Rodrigo S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 36 |
| Pages of publication | 12643 - 12652 |
| a | 13.9632 ± 0.0016 Å |
| b | 14.6228 ± 0.0018 Å |
| c | 16.5042 ± 0.0018 Å |
| α | 70.695 ± 0.004° |
| β | 77.328 ± 0.004° |
| γ | 64.054 ± 0.004° |
| Cell volume | 2848.7 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1122 |
| Residual factor for significantly intense reflections | 0.1044 |
| Weighted residual factors for significantly intense reflections | 0.2578 |
| Weighted residual factors for all reflections included in the refinement | 0.2626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| 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 |
|---|---|---|---|
| 257538 (current) | 2020-10-06 | cif/ Updating files of 7705169, 7705170, 7705171 Original log message: Adding full bibliography for 7705169--7705171.cif. |
7705170.cif |
| 255350 | 2020-08-16 | cif/ Adding structures of 7705169, 7705170, 7705171 via cif-deposit CGI script. |
7705170.cif |
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Users of the data should acknowledge the original authors of the
structural data.