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Information card for entry 7721112
Preview
| Coordinates | 7721112.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N3 O S |
|---|---|
| Calculated formula | C17 H17 N3 O 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 | 5.6408 ± 0.0001 Å |
| b | 9.3444 ± 0.0003 Å |
| c | 15.6537 ± 0.0004 Å |
| α | 72.66 ± 0.002° |
| β | 82.131 ± 0.002° |
| γ | 87.333 ± 0.002° |
| Cell volume | 780.18 ± 0.04 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0302 |
| Weighted residual factors for significantly intense reflections | 0.0747 |
| Weighted residual factors for all reflections included in the refinement | 0.0747 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 306554 (current) | 2026-06-11 | cif/ Adding structures of 7721112, 7721113, 7721114, 7721115, 7721116 via cif-deposit CGI script. |
7721112.cif |
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Users of the data should acknowledge the original authors of the
structural data.