Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552173
Preview
| Coordinates | 1552173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C6 H6 N8 Pt S2 |
|---|---|
| Calculated formula | C6 H6 N8 Pt S2 |
| SMILES | c1[n](ccs1)[Pt](N=N#N)([n]1cscc1)N=N#N |
| Title of publication | Platinum(iv) dihydroxido diazido N-(heterocyclic)imine complexes are potently photocytotoxic when irradiated with visible light |
| Authors of publication | Shaili, Evyenia; Salassa, Luca; Woods, Julie A.; Clarkson, Guy; Sadler, Peter J.; Farrer, Nicola J. |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 3.7996 ± 0.0001 Å |
| b | 8.1562 ± 0.0003 Å |
| c | 9.0053 ± 0.0003 Å |
| α | 88.995 ± 0.003° |
| β | 86.555 ± 0.003° |
| γ | 76.997 ± 0.003° |
| Cell volume | 271.427 ± 0.016 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100.15 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 | 0.0175 |
| Residual factor for significantly intense reflections | 0.0175 |
| Weighted residual factors for significantly intense reflections | 0.0392 |
| Weighted residual factors for all reflections included in the refinement | 0.0392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552173.cif |
| 217469 | 2019-08-09 | cif/ Adding structures of 1552170, 1552171, 1552172, 1552173, 1552174 via cif-deposit CGI script. |
1552173.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.