Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4326731
Preview
| Coordinates | 4326731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C57 H49 Ag2 Cl3 N12 O6 P2 S2 |
|---|---|
| Calculated formula | C57 H49 Ag2 Cl3 N12 O6 P2 S2 |
| SMILES | C(Cl)(Cl)Cl.C12(n3ccc[n]3[Ag]([n]3cccn13)(OS2(=O)=O)[P](c1ccccc1)(c1ccccc1)c1ccccc1)n1cccn1 |
| Title of publication | Synthesis, Antimicrobial and Antiproliferative Activity of Novel Silver(I) Tris(pyrazolyl)methanesulfonate and 1,3,5-Triaza-7-phosphadamantane Complexes |
| Authors of publication | Claudio Pettinari; Fabio Marchetti; Giulio Lupidi; Luana Quassinti; Massimo Bramucci; Dezemona Petrelli; Luca A. Vitali; M. Fátima C. Guedes da Silva; Luísa M. D. R. S. Martins; Piotr Smoleński; Armando J. L. Pombeiro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 11173 - 11183 |
| a | 13.0005 ± 0.0005 Å |
| b | 21.2408 ± 0.001 Å |
| c | 21.7244 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5999 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0829 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.07 |
| Weighted residual factors for all reflections included in the refinement | 0.0778 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4326731.cif |
| 179370 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/67. |
4326731.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4326731.cif |
| 49505 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4326731 via cif-deposit CGI script. |
4326731.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.