Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7222153
Preview
| Coordinates | 7222153.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H10 Au Cl2 N S2 |
|---|---|
| Calculated formula | C5 H10 Au Cl2 N S2 |
| SMILES | [Au]1(Cl)(Cl)[S]=C(S1)N(CC)CC |
| Title of publication | Synthesis, characterization and in vitro cytotoxicity of gold(III) dialkyl/diaryldithiocarbamato complexes |
| Authors of publication | Isab, A.; Altaf, Muhammad; Travnicek, Zdenek; Dvořák, Zdeněk; Stoeckli-Evans, Helen; Vanco, Jan |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 17.2433 ± 0.0008 Å |
| b | 7.0535 ± 0.0003 Å |
| c | 17.2503 ± 0.001 Å |
| α | 90° |
| β | 97.718 ± 0.004° |
| γ | 90° |
| Cell volume | 2079.07 ± 0.18 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0265 |
| Residual factor for significantly intense reflections | 0.0218 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0481 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.918 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 156354 (current) | 2015-09-16 | cif/ Adding structures of 7222153, 7222154 via cif-deposit CGI script. |
7222153.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.