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Information card for entry 1570562
Preview
| Coordinates | 1570562.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H36 Cl2 N10 Ni O S2 |
|---|---|
| Calculated formula | C30 H36 Cl2 N10 Ni O S2 |
| SMILES | [Ni]1234(SC(=N[N]2=C(c2[n]1cccc2)c1[nH+]cccc1)N(C)CC)SC(=N[N]4=C(c1[n]3cccc1)c1[nH+]cccc1)N(C)CC.[Cl-].[Cl-].O |
| Title of publication | Differential transmetallation of complexes of the anti-cancer thiosemicarbazone, Dp4e4mT: effects on anti-proliferative efficacy, redox activity, oxy-myoglobin and oxy-hemoglobin oxidation. |
| Authors of publication | Dharmasivam, Mahendiran; Kaya, Busra; Wijesinghe, Tharushi P.; Richardson, Vera; Harmer, Jeffrey R.; Gonzalvez, Miguel A.; Lewis, William; Azad, Mahan Gholam; Bernhardt, Paul V.; Richardson, Des R. |
| Journal of publication | Chemical science |
| Year of publication | 2024 |
| Journal volume | 15 |
| Journal issue | 3 |
| Pages of publication | 974 - 990 |
| a | 9.141 ± 0.003 Å |
| b | 14.09 ± 0.004 Å |
| c | 14.188 ± 0.003 Å |
| α | 94.82 ± 0.02° |
| β | 92.36 ± 0.02° |
| γ | 107.67 ± 0.03° |
| Cell volume | 1730.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.2326 |
| Residual factor for significantly intense reflections | 0.1045 |
| Weighted residual factors for significantly intense reflections | 0.2267 |
| Weighted residual factors for all reflections included in the refinement | 0.2878 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
| 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 |
|---|---|---|---|
| 289425 (current) | 2024-02-04 | cif/ Updating files of 1570562, 1570563, 1570564, 1570565, 1570566, 1570567 Original log message: Adding full bibliography for 1570562--1570567.cif. |
1570562.cif |
| 288357 | 2023-12-16 | cif/ Adding structures of 1570562, 1570563, 1570564, 1570565, 1570566, 1570567 via cif-deposit CGI script. |
1570562.cif |
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Users of the data should acknowledge the original authors of the
structural data.