Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7018798
Preview
| Coordinates | 7018798.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H16 Au N4 O4 P |
|---|---|
| Calculated formula | C21 H16 Au N4 O4 P |
| SMILES | [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)n1nc(N(=O)=O)cc1N(=O)=O |
| Title of publication | Synthesis and characterization of azolate gold(i) phosphane complexes as thioredoxin reductase inhibiting antitumor agents. |
| Authors of publication | Galassi, Rossana; Burini, Alfredo; Ricci, Simone; Pellei, Maura; Rigobello, Maria Pia; Citta, Anna; Dolmella, Alessandro; Gandin, Valentina; Marzano, Cristina |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 17 |
| Pages of publication | 5307 - 5318 |
| a | 8.13 ± 0.0016 Å |
| b | 11.393 ± 0.002 Å |
| c | 23.339 ± 0.005 Å |
| α | 90° |
| β | 97.6 ± 0.03° |
| γ | 90° |
| Cell volume | 2142.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0412 |
| Residual factor for significantly intense reflections | 0.0343 |
| Weighted residual factors for significantly intense reflections | 0.0887 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.364 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7018798.cif |
| 179891 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/87. |
7018798.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7018798.cif |
| 55961 | 2012-05-08 | cif/ Adding structures of 7018798, 7018799 via cif-deposit CGI script. |
7018798.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.