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Information card for entry 7045088
Preview
| Coordinates | 7045088.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H29 Cl N2 O2 Ru |
|---|---|
| Calculated formula | C31 H29 Cl N2 O2 Ru |
| SMILES | [Ru]123456(Cl)(Oc7n(nc(c7C(=[O]1)c1c7ccccc7ccc1)C)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C |
| Title of publication | Synthesis, characterization and cytotoxicity of arene-ruthenium(ii) complexes with acylpyrazolones functionalized with aromatic groups in the acyl moiety. |
| Authors of publication | Marchetti, Fabio; Pettinari, Riccardo; Di Nicola, Corrado; Pettinari, Claudio; Palmucci, Jessica; Scopelliti, Rosario; Riedel, Tina; Therrien, Bruno; Galindo, Agustín; Dyson, Paul J. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 3 |
| Pages of publication | 868 - 878 |
| a | 9.9327 ± 0.0018 Å |
| b | 27.56 ± 0.004 Å |
| c | 10.059 ± 0.002 Å |
| α | 90° |
| β | 106.967 ± 0.014° |
| γ | 90° |
| Cell volume | 2633.7 ± 0.8 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1237 |
| Residual factor for significantly intense reflections | 0.0718 |
| Weighted residual factors for significantly intense reflections | 0.1424 |
| Weighted residual factors for all reflections included in the refinement | 0.1678 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230064 (current) | 2019-11-17 | cif/ Updating files of 7045087, 7045088, 7045089, 7045090, 7045091 Original log message: Adding full bibliography for 7045087--7045091.cif. |
7045088.cif |
| 204384 | 2017-12-20 | cif/ Adding structures of 7045087, 7045088, 7045089, 7045090, 7045091 via cif-deposit CGI script. |
7045088.cif |
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Users of the data should acknowledge the original authors of the
structural data.