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Information card for entry 7721116
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| Coordinates | 7721116.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | NDB_250122_Sc_RuC2S1 |
|---|---|
| Formula | C27 H31 Cl2 N3 O Ru S |
| Calculated formula | C27 H31 Cl2 N3 O Ru S |
| Title of publication | Organoruthenium(II) complexes appended with racemic pyrazoline ligands: An integrated experimental and theoretical insights revealing their apoptotic efficacy |
| Authors of publication | Manimuthu, Akilesh; Bhuvanesh, Nattamai; Nallasamy, Professor Dr. Dharmaraj |
| Journal of publication | Dalton Transactions |
| Year of publication | 2026 |
| a | 9.83 ± 0.0002 Å |
| b | 10.7298 ± 0.0002 Å |
| c | 14.3576 ± 0.0003 Å |
| α | 92.752 ± 0.002° |
| β | 105.915 ± 0.002° |
| γ | 97.224 ± 0.002° |
| Cell volume | 1439.34 ± 0.05 Å3 |
| Cell temperature | 99.9 ± 0.2 K |
| Ambient diffraction temperature | 99.9 ± 0.2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0342 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0916 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.